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

Systemtic Name: 4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-pentoxyphenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-pentoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-amoxybenzylidene)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C20H22N4OS MolecularWeight: 366.47988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-2-3-7-14-25-18-12-10-16(11-13-18)15-21-24-19(22-23-20(24)26)17-8-5-4-6-9-17/h4-6,8-13,15H,2-3,7,14H2,1H3,(H,23,26)/b21-15+