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

Systemtic Name: 4-butyl-5-(3-chlorophenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-butyl-5-(3-chlorophenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-butyl-5-(3-chlorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-butyl-5-(3-chlorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-butyl-5-(3-chlorophenyl)-1,2,4-triazole-3-thiolate Formula: C12H13ClN3S- MolecularWeight: 266.76972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1[S-])C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCN1C(=NN=C1[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)/p-1