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

Systemtic Name: 4-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]benzenecarbonitrile Openeye Name: 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile CAS Name: 4-[(6-oxo-1H-pyrimidin-2-yl)thio]benzonitrile IUPAC Name: 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile Traditional Name: 4-[(6-keto-1H-pyrimidin-2-yl)thio]benzonitrile Formula: C11H7N3OS MolecularWeight: 229.25778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)SC2=NC=CC(=O)N2

Isomeric SMILES

C1=CC(=CC=C1C#N)SC2=NC=CC(=O)N2

InChI

InChI=1S/C11H7N3OS/c12-7-8-1-3-9(4-2-8)16-11-13-6-5-10(15)14-11/h1-6H,(H,13,14,15)