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

Systemtic Name: 4-oxidanylidene-2-(phenylmethylsulfanyl)-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(phenylmethylthio)-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-keto-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C17H12N4OS MolecularWeight: 320.36838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C17H12N4OS/c18-9-14-15(13-7-4-8-19-10-13)20-17(21-16(14)22)23-11-12-5-2-1-3-6-12/h1-8,10H,11H2,(H,20,21,22)