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

Systemtic Name: 4-[(E)-(4-hexoxy-3-methoxy-phenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-hexoxy-3-methoxy-phenyl)methyleneamino]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-hexoxy-3-methoxy-benzylidene)amino]-3-propyl-1H-1,2,4-triazole-5-thione Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2S/c1-4-6-7-8-12-25-16-11-10-15(13-17(16)24-3)14-20-23-18(9-5-2)21-22-19(23)26/h10-11,13-14H,4-9,12H2,1-3H3,(H,22,26)/b20-14+