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

Systemtic Name: 4-butyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c1-3-4-9-16-12(14-15-13(16)18)10-5-7-11(17-2)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,15,18)