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

Systemtic Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methyl-2H-1,2,4-triazin-5-one CAS Name: 3-[[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-6-methyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[[2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]thio]-6-methyl-2H-1,2,4-triazin-5-one Formula: C16H18ClN5O4S2 MolecularWeight: 443.92822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O4S2/c1-11-15(24)18-16(20-19-11)27-10-14(23)21-6-8-22(9-7-21)28(25,26)13-4-2-12(17)3-5-13/h2-5H,6-10H2,1H3,(H,18,20,24)