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

Systemtic Name: 3-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[4-[4-(4-chlorophenyl)sulfonylpiperazino]-4-keto-butyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C19H26ClN5O4S2 MolecularWeight: 488.02384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1C(=O)NN=C1SCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H26ClN5O4S2/c1-2-9-25-18(27)21-22-19(25)30-14-3-4-17(26)23-10-12-24(13-11-23)31(28,29)16-7-5-15(20)6-8-16/h5-8H,2-4,9-14H2,1H3,(H,21,27)