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

Systemtic Name: 3-butyl-4-[(E)-(4-hexoxy-3-methoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-butyl-4-[(E)-(4-hexoxy-3-methoxy-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-butyl-4-[(E)-(4-hexoxy-3-methoxy-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-4-6-8-9-13-26-17-12-11-16(14-18(17)25-3)15-21-24-19(10-7-5-2)22-23-20(24)27/h11-12,14-15H,4-10,13H2,1-3H3,(H,23,27)/b21-15+