109901-84-0
1H-IMIDAZOLE-1-CARBOTHIOIC ACID, 4,5-DIHYDRO-2-(2-((2-METHYLPHENYL)AMI NO)ETHYL)-5-OXO-4-(PHENYLMETHYLENE)-, ((4-(DIMETHYLAMINO)PHENYL)METHYL ENE)HYDRAZIDE
Name1H-IMIDAZOLE-1-CARBOTHIOIC ACID, 4,5-DIHYDRO-2-(2-((2-METHYLPHENYL)AMI NO)ETHYL)-5-OXO-4-(PHENYLMETHYLENE)-, ((4-(DIMETHYLAMINO)PHENYL)METHYL ENE)HYDRAZIDE
1Identification
【Name】
1H-IMIDAZOLE-1-CARBOTHIOIC ACID, 4,5-DIHYDRO-2-(2-((2-METHYLPHENYL)AMI NO)ETHYL)-5-OXO-4-(PHENYLMETHYLENE)-, ((4-(DIMETHYLAMINO)PHENYL)METHYL ENE)HYDRAZIDE
【CAS】
【MDL】
MFCD01753460
【English Synonyms】
【Formula】
C29 H30 N6 O S
【MolWeight】
510.663
【Inchi】
InChI=1S/C29H30N6OS/c1-21-9-7-8-12-25(21)30-18-17-27-32-26(19-22-10-5-4-6-11-22)28(36)35(27)29(37)33-31-20-23-13-15-24(16-14-23)34(2)3/h4-16,19-20,30H,17-18H2,1-3H3,(H,33,37)/b26-19+,31-20+
【InChIKey】
InChIKey=ATVWYKGXNZDGRF-DVIYFVMSSA-N
【SMILES】
Cc1ccccc1NCCC2=N/C(=C/c3ccccc3)/C(=O)N2C(=S)N/N=C/c4ccc(cc4)N(C)C
【MOL File】
1H-IMIDAZOLE-1-CARBO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-IMIDAZOLE-1-CARBOTHIOIC ACID, 4,5-DIHYDRO-2-(2-((2-METHYLPHENYL)AMI NO)ETHYL)-5-OXO-4-(PHENYLMETHYLENE)-, ((4-(DIMETHYLAMINO)PHENYL)METHYL ENE)HYDRAZIDE.cml