4-butyl-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C14H19N3O2S/c1-4-5-8-17-13(15-16-14(17)20)10-6-7-11(18-2)12(9-10)19-3/h6-7,9H,4-5,8H2,1-3H3,(H,16,20)