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

Systemtic Name: 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H22ClN5O2S MolecularWeight: 395.90688

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H22ClN5O2S/c1-2-6-23-16(25)19-20-17(23)26-12-15(24)22-9-7-21(8-10-22)14-5-3-4-13(18)11-14/h3-5,11H,2,6-10,12H2,1H3,(H,19,25)