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

Systemtic Name: 6-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-6-keto-1H-pyrimidine-5-carbonitrile Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3OS/c13-6-10-7-14-12(15-11(10)16)17-8-9-4-2-1-3-5-9/h1-5,7H,8H2,(H,14,15,16)