3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O2S/c1-2-7-17-12(19)15-16-13(17)20-8-11(18)9-3-5-10(14)6-4-9/h3-6H,2,7-8H2,1H3,(H,15,19)