6-[4-chloranyl-2,5-bis(oxidanylidene)-1-phenyl-pyrrol-3-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione

Systemtic Name: 6-[4-chloranyl-2,5-bis(oxidanylidene)-1-phenyl-pyrrol-3-yl]sulfanyl-2H-1,2,4-triazine-3,5-dione Openeye Name: 6-(4-chloro-2,5-dioxo-1-phenyl-pyrrol-3-yl)sulfanyl-2H-1,2,4-triazine-3,5-dione CAS Name: 6-[(4-chloro-2,5-dioxo-1-phenyl-3-pyrrolyl)thio]-2H-1,2,4-triazine-3,5-dione IUPAC Name: 6-(4-chloro-2,5-dioxo-1-phenylpyrrol-3-yl)sulfanyl-2H-1,2,4-triazine-3,5-dione Traditional Name: 6-[(4-chloro-2,5-diketo-1-phenyl-3-pyrrolin-3-yl)thio]-2H-1,2,4-triazine-3,5-quinone Formula: C13H7ClN4O4S MolecularWeight: 350.73708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)SC3=NNC(=O)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)SC3=NNC(=O)NC3=O

InChI

InChI=1S/C13H7ClN4O4S/c14-7-8(23-10-9(19)15-13(22)17-16-10)12(21)18(11(7)20)6-4-2-1-3-5-6/h1-5H,(H2,15,17,19,22)