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

Systemtic Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C17H22ClN5O4S2 MolecularWeight: 459.97068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN5O4S2/c1-2-7-23-16(25)19-20-17(23)28-12-15(24)21-8-10-22(11-9-21)29(26,27)14-5-3-13(18)4-6-14/h3-6H,2,7-12H2,1H3,(H,19,25)