2-phenyl-4-(phenylcarbonyl)-3-sulfanyl-pyrido[1,2-a]pyrazin-5-ium-1-one

Systemtic Name: 2-phenyl-4-(phenylcarbonyl)-3-sulfanyl-pyrido[1,2-a]pyrazin-5-ium-1-one Openeye Name: 4-benzoyl-2-phenyl-3-sulfanyl-pyrido[1,2-a]pyrazin-5-ium-1-one CAS Name: 4-benzoyl-3-mercapto-2-phenyl-1-pyrido[1,2-a]pyrazin-5-iumone IUPAC Name: 4-benzoyl-2-phenyl-3-sulfanylpyrido[1,2-a]pyrazin-5-ium-1-one Traditional Name: 4-benzoyl-3-mercapto-2-phenyl-pyrido[1,2-a]pyrazin-5-ium-1-one Formula: C21H15N2O2S+ MolecularWeight: 359.421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(N(C(=O)C3=CC=CC=[N+]32)C4=CC=CC=C4)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(N(C(=O)C3=CC=CC=[N+]32)C4=CC=CC=C4)S

InChI

InChI=1S/C21H14N2O2S/c24-19(15-9-3-1-4-10-15)18-21(26)23(16-11-5-2-6-12-16)20(25)17-13-7-8-14-22(17)18/h1-14H/p+1