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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1[S-])C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CN1C(=NN=C1[S-])C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H14ClN3S/c1-8(2)7-16-11(14-15-12(16)17)9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,17)/p-1