6-(3-nitrophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-nitrophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(3-nitrophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-nitrophenyl)-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-(3-nitrophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-keto-6-(3-nitrophenyl)-1H-pyrimidine-5-carbonitrile Formula: C18H12N4O3S MolecularWeight: 364.37788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC(=CC=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H12N4O3S/c19-10-15-16(13-7-4-8-14(9-13)22(24)25)20-18(21-17(15)23)26-11-12-5-2-1-3-6-12/h1-9H,11H2,(H,20,21,23)