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

Systemtic Name: 4-(4-butylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-methyl-1H-1,2,4-triazole-5-thione Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)C

InChI

InChI=1S/C13H17N3S/c1-3-4-5-11-6-8-12(9-7-11)16-10(2)14-15-13(16)17/h6-9H,3-5H2,1-2H3,(H,15,17)