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

Systemtic Name: 4-methylsulfanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzyl-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-(methylthio)-6-oxo-2-(phenylmethyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzyl-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-benzyl-6-keto-4-(methylthio)-1H-pyrimidine-5-carbonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)NC(=N1)CC2=CC=CC=C2)C#N

Isomeric SMILES

CSC1=C(C(=O)NC(=N1)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C13H11N3OS/c1-18-13-10(8-14)12(17)15-11(16-13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16,17)