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

Systemtic Name: 4-butyl-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione Formula: C12H14ClN3S MolecularWeight: 267.77766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H14ClN3S/c1-2-3-7-16-11(14-15-12(16)17)9-5-4-6-10(13)8-9/h4-6,8H,2-3,7H2,1H3,(H,15,17)