478255-84-4
5-(3-METHYLPHENYL)-4-[[(E)-(2,3,4-TRIMETHOXYPHENYL)METHYLIDENE]AMINO]-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
Name5-(3-METHYLPHENYL)-4-[[(E)-(2,3,4-TRIMETHOXYPHENYL)METHYLIDENE]AMINO]-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
1Identification
【Name】
5-(3-METHYLPHENYL)-4-[[(E)-(2,3,4-TRIMETHOXYPHENYL)METHYLIDENE]AMINO]-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
【CAS】
【MDL】
MFCD01064863
【English Synonyms】
【Formula】
C19 H20 N4 O3 S
【MolWeight】
384.458
【Inchi】
InChI=1S/C19H20N4O3S/c1-12-6-5-7-13(10-12)18-21-22-19(27)23(18)20-11-14-8-9-15(24-2)17(26-4)16(14)25-3/h5-11H,1-4H3,(H,22,27)/b20-11+
【InChIKey】
InChIKey=YMEXUMROPLLLKA-RGVLZGJSSA-N
【SMILES】
Cc1cccc(c1)c2nnc(n2/N=C/c3ccc(c(c3OC)OC)OC)S
【MOL File】
5-(3-METHYLPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(3-METHYLPHENYL)-4-[[(E)-(2,3,4-TRIMETHOXYPHENYL)METHYLIDENE]AMINO]-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE.cml