3-(2-methylphenyl)-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-methylphenyl)-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-methylsulfanylphenyl)methyleneamino]-3-(o-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-methylphenyl)-4-[(E)-[4-(methylthio)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-methylphenyl)-4-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-[4-(methylthio)benzylidene]amino]-3-(o-tolyl)-1H-1,2,4-triazole-5-thione Formula: C17H16N4S2 MolecularWeight: 340.46574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NNC(=S)N2N=CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)SC

InChI

InChI=1S/C17H16N4S2/c1-12-5-3-4-6-15(12)16-19-20-17(22)21(16)18-11-13-7-9-14(23-2)10-8-13/h3-11H,1-2H3,(H,20,22)/b18-11+