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

Systemtic Name: 3-[(2-chlorophenyl)-oxidanyl-methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chlorophenyl)-hydroxy-methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chlorophenyl)-hydroxymethyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chlorophenyl)-hydroxymethyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-chlorophenyl)-hydroxy-methyl]-4-(3-methoxypropyl)-1H-1,2,4-triazole-5-thione Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NNC1=S)C(C2=CC=CC=C2Cl)O

Isomeric SMILES

COCCCN1C(=NNC1=S)C(C2=CC=CC=C2Cl)O

InChI

InChI=1S/C13H16ClN3O2S/c1-19-8-4-7-17-12(15-16-13(17)20)11(18)9-5-2-3-6-10(9)14/h2-3,5-6,11,18H,4,7-8H2,1H3,(H,16,20)