3-(4-butoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NNC(=S)N2C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NNC(=S)N2C

InChI

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