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

Systemtic Name: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-tert-butylphenyl)methyleneamino]-3-(m-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-tert-butylphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-tert-butylbenzylidene)amino]-3-(m-tolyl)-1H-1,2,4-triazole-5-thione Formula: C20H22N4S MolecularWeight: 350.48048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H22N4S/c1-14-6-5-7-16(12-14)18-22-23-19(25)24(18)21-13-15-8-10-17(11-9-15)20(2,3)4/h5-13H,1-4H3,(H,23,25)/b21-13+