4-methylsulfanyl-2-(4-nitrophenyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-methylsulfanyl-2-(4-nitrophenyl)-6-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-methylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-(methylthio)-2-(4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-methylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-keto-4-(methylthio)-2-(4-nitrophenyl)-1H-pyrimidine-5-carbonitrile Formula: C12H8N4O3S MolecularWeight: 288.28192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=C(C(=O)NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H8N4O3S/c1-20-12-9(6-13)11(17)14-10(15-12)7-2-4-8(5-3-7)16(18)19/h2-5H,1H3,(H,14,15,17)