83794-60-9
ISONICOTINIC ACID (1,2-DIMETHYL-4-(P-TOLYLSULFONYL)2-BUTENYLIDENE)HYDRAZIDE
NameISONICOTINIC ACID (1,2-DIMETHYL-4-(P-TOLYLSULFONYL)2-BUTENYLIDENE)HYDRAZIDE
1Identification
【Name】
ISONICOTINIC ACID (1,2-DIMETHYL-4-(P-TOLYLSULFONYL)2-BUTENYLIDENE)HYDRAZIDE
【CAS】
【MDL】
MFCD01717823
【English Synonyms】
【Formula】
C19 H21 N3 O3 S
【MolWeight】
371.459
【Inchi】
InChI=1S/C19H21N3O3S/c1-14-4-6-18(7-5-14)26(24,25)13-10-15(2)16(3)21-22-19(23)17-8-11-20-12-9-17/h4-12H,13H2,1-3H3,(H,22,23)/b15-10+,21-16-
【InChIKey】
InChIKey=XIHPVXOXLAVKOP-MPKIVNMISA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)C/C=C(\C)/C(=N\NC(=O)c2ccncc2)/C
【MOL File】
ISONICOTINIC ACID (1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISONICOTINIC ACID (1,2-DIMETHYL-4-(P-TOLYLSULFONYL)2-BUTENYLIDENE)HYDRAZIDE.cml