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

Systemtic Name: 4-butyl-3-(chloromethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(chloromethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(chloromethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(chloromethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(chloromethyl)-1H-1,2,4-triazole-5-thione Formula: C7H12ClN3S MolecularWeight: 205.70828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)CCl

Isomeric SMILES

CCCCN1C(=NNC1=S)CCl

InChI

InChI=1S/C7H12ClN3S/c1-2-3-4-11-6(5-8)9-10-7(11)12/h2-5H2,1H3,(H,10,12)