4-(3,4-dimethylphenyl)-3-(phenylazanylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3,4-dimethylphenyl)-3-(phenylazanylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(anilinomethyl)-4-(3,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(anilinomethyl)-4-(3,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(anilinomethyl)-4-(3,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(anilinomethyl)-4-(3,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H18N4S MolecularWeight: 310.41662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NNC2=S)CNC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NNC2=S)CNC3=CC=CC=C3)C

InChI

InChI=1S/C17H18N4S/c1-12-8-9-15(10-13(12)2)21-16(19-20-17(21)22)11-18-14-6-4-3-5-7-14/h3-10,18H,11H2,1-2H3,(H,20,22)