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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OCC)OC

Isomeric SMILES

CCCCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OCC)OC

InChI

InChI=1S/C16H22N4O2S/c1-4-6-7-15-18-19-16(23)20(15)17-11-12-8-9-13(22-5-2)14(10-12)21-3/h8-11H,4-7H2,1-3H3,(H,19,23)/b17-11+