2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetonitrile CAS Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetonitrile IUPAC Name: 2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetonitrile Formula: C12H9N3OS MolecularWeight: 243.28436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC#N

InChI

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