S-[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl] 3-methylbenzenecarbothioate

Systemtic Name: S-[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl] 3-methylbenzenecarbothioate Openeye Name: S-[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl] 3-methylbenzenecarbothioate CAS Name: 3-methylbenzenecarbothioic acid S-[(5Z)-5-(3-indolylidene)-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl] ester IUPAC Name: S-[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl] 3-methylbenzenecarbothioate Traditional Name: 3-methylthiobenzoic acid S-[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl] ester Formula: C25H20N4OS MolecularWeight: 424.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)SC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=CC=C5C

InChI

InChI=1S/C25H20N4OS/c1-16-8-7-10-18(14-16)24(30)31-25-28-27-23(29(25)22-13-6-3-9-17(22)2)20-15-26-21-12-5-4-11-19(20)21/h3-15,27H,1-2H3/b23-20-