3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-1,2-dihydro-1,2,4-triazine-5,6-dione IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-1,2-dihydro-1,2,4-triazine-5,6-quinone Formula: C11H8ClN3O3S MolecularWeight: 297.71752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC(=O)C(=O)NN2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC(=O)C(=O)NN2)Cl

InChI

InChI=1S/C11H8ClN3O3S/c12-7-3-1-6(2-4-7)8(16)5-19-11-13-9(17)10(18)14-15-11/h1-4H,5H2,(H,14,18)(H,13,15,17)