3-phenyl-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-phenyl-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-isopropylphenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-phenyl-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-phenyl-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-isopropylbenzylidene)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C18H18N4S MolecularWeight: 322.42732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4S/c1-13(2)15-10-8-14(9-11-15)12-19-22-17(20-21-18(22)23)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,23)/b19-12+