6-methyl-3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methyl-2H-1,2,4-triazin-5-one CAS Name: 3-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-6-methyl-2H-1,2,4-triazin-5-one Formula: C16H19N5O4S2 MolecularWeight: 409.48316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=NC1=O)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NNC(=NC1=O)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H19N5O4S2/c1-12-15(23)17-16(19-18-12)26-11-14(22)20-7-9-21(10-8-20)27(24,25)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,17,19,23)