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

Systemtic Name: 6-methyl-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2H-1,2,4-triazin-5-one Openeye Name: 6-methyl-3-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-2H-1,2,4-triazin-5-one CAS Name: 6-methyl-3-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-2H-1,2,4-triazin-5-one IUPAC Name: 6-methyl-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]-6-methyl-2H-1,2,4-triazin-5-one Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=O)C(=NN3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=O)C(=NN3)C

InChI

InChI=1S/C17H21N5O4S2/c1-12-3-5-14(6-4-12)28(25,26)22-9-7-21(8-10-22)15(23)11-27-17-18-16(24)13(2)19-20-17/h3-6H,7-11H2,1-2H3,(H,18,20,24)