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

Systemtic Name: 4-[(E)-(4-methylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(phenoxymethyl)-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-methylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-methylphenyl)methylideneamino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-methylbenzylidene)amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C17H16N4OS MolecularWeight: 324.40014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NN2C(=NNC2=S)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)COC3=CC=CC=C3

InChI

InChI=1S/C17H16N4OS/c1-13-7-9-14(10-8-13)11-18-21-16(19-20-17(21)23)12-22-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,20,23)/b18-11+