3-[4-(4-methylphenyl)-3-[(4-methylphenyl)amino]-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-methylphenyl)-3-[(4-methylphenyl)amino]-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Openeye Name: 3-[3-(4-methylanilino)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]propanenitrile CAS Name: 3-[3-(4-methylanilino)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile IUPAC Name: 3-[3-(4-methylanilino)-4-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]propanenitrile Traditional Name: 3-[3-(p-toluidino)-4-(p-tolyl)-5-thioxo-1,2,4-triazol-1-yl]propionitrile Formula: C19H19N5S MolecularWeight: 349.45266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=C(C=C3)C)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN(C(=S)N2C3=CC=C(C=C3)C)CCC#N

InChI

InChI=1S/C19H19N5S/c1-14-4-8-16(9-5-14)21-18-22-23(13-3-12-20)19(25)24(18)17-10-6-15(2)7-11-17/h4-11H,3,13H2,1-2H3,(H,21,22)