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

Systemtic Name: 3-[(2-chlorophenyl)-oxidanyl-methyl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chlorophenyl)-hydroxy-methyl]-4-isobutyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chlorophenyl)-hydroxymethyl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chlorophenyl)-hydroxymethyl]-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-chlorophenyl)-hydroxy-methyl]-4-isobutyl-1H-1,2,4-triazole-5-thione Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NNC1=S)C(C2=CC=CC=C2Cl)O

Isomeric SMILES

CC(C)CN1C(=NNC1=S)C(C2=CC=CC=C2Cl)O

InChI

InChI=1S/C13H16ClN3OS/c1-8(2)7-17-12(15-16-13(17)19)11(18)9-5-3-4-6-10(9)14/h3-6,8,11,18H,7H2,1-2H3,(H,16,19)