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

Systemtic Name: 4-butyl-3-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-[(2-chlorophenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(2-chlorobenzyl)-1H-1,2,4-triazole-5-thione Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCN1C(=NNC1=S)CC2=CC=CC=C2Cl

InChI

InChI=1S/C13H16ClN3S/c1-2-3-8-17-12(15-16-13(17)18)9-10-6-4-5-7-11(10)14/h4-7H,2-3,8-9H2,1H3,(H,16,18)