6-oxidanylidene-3-phenyl-2-pyridin-1-ium-3-yl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 6-oxidanylidene-3-phenyl-2-pyridin-1-ium-3-yl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 6-oxo-3-phenyl-2-pyridin-1-ium-3-yl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-6-oxo-3-phenyl-2-(3-pyridin-1-iumyl)-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 6-oxo-3-phenyl-2-pyridin-1-ium-3-yl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-phenyl-2-pyridin-1-ium-3-yl-1,2-dihydropyrimidine-5-carbonitrile Formula: C16H13N4OS+ MolecularWeight: 309.36562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=C[NH+]=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=C[NH+]=CC=C3

InChI

InChI=1S/C16H12N4OS/c17-9-13-15(21)19-14(11-5-4-8-18-10-11)20(16(13)22)12-6-2-1-3-7-12/h1-8,10,14,22H,(H,19,21)/p+1