3-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one

Systemtic Name: 3-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one Openeye Name: 3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one CAS Name: 3-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one IUPAC Name: 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one Traditional Name: 3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one Formula: C21H21ClFN5O4S MolecularWeight: 493.938943

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(NC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(NC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClFN5O4S/c1-14-20(29)28(15-5-3-2-4-6-15)25-19(24-14)21(30)26-9-11-27(12-10-26)33(31,32)16-7-8-18(23)17(22)13-16/h2-8,13-14H,9-12H2,1H3,(H,24,25)