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

Systemtic Name: 4-[(E)-(4-hexoxy-3-methoxy-phenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-hexoxy-3-methoxy-phenyl)methyleneamino]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-hexoxy-3-methoxy-benzylidene)amino]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C17H24N4O2S MolecularWeight: 348.46306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S/c1-4-5-6-7-10-23-15-9-8-14(11-16(15)22-3)12-18-21-13(2)19-20-17(21)24/h8-9,11-12H,4-7,10H2,1-3H3,(H,20,24)/b18-12+