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

Systemtic Name: 4-[(E)-(4-hexoxy-3-methoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-hexoxy-3-methoxy-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-hexoxy-3-methoxy-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C16H22N4O2S MolecularWeight: 334.43648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=NN2C=NNC2=S)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=N/N2C=NNC2=S)OC

InChI

InChI=1S/C16H22N4O2S/c1-3-4-5-6-9-22-14-8-7-13(10-15(14)21-2)11-18-20-12-17-19-16(20)23/h7-8,10-12H,3-6,9H2,1-2H3,(H,19,23)/b18-11+