2-[3-chloranyl-4-(4-methylsulfonylphenyl)carbonyl-phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[3-chloranyl-4-(4-methylsulfonylphenyl)carbonyl-phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[3-chloro-4-(4-methylsulfonylbenzoyl)phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[3-chloro-4-[(4-methylsulfonylphenyl)-oxomethyl]phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[3-chloro-4-(4-methylsulfonylbenzoyl)phenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[3-chloro-4-(4-mesylbenzoyl)phenyl]-1,2,4-triazine-3,5-quinone Formula: C17H12ClN3O5S MolecularWeight: 405.81228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl

InChI

InChI=1S/C17H12ClN3O5S/c1-27(25,26)12-5-2-10(3-6-12)16(23)13-7-4-11(8-14(13)18)21-17(24)20-15(22)9-19-21/h2-9H,1H3,(H,20,22,24)