4-[1-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-oxidanylidene-ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-oxidanylidene-ethyl]benzenecarbonitrile Openeye Name: 4-[1-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-oxo-ethyl]benzonitrile CAS Name: 4-[1-[(4,6-dimethoxy-2-pyrimidinyl)thio]-2-oxoethyl]benzonitrile IUPAC Name: 4-[1-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-2-oxoethyl]benzonitrile Traditional Name: 4-[1-[(4,6-dimethoxypyrimidin-2-yl)thio]-2-keto-ethyl]benzonitrile Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC(C=O)C2=CC=C(C=C2)C#N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SC(C=O)C2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C15H13N3O3S/c1-20-13-7-14(21-2)18-15(17-13)22-12(9-19)11-5-3-10(8-16)4-6-11/h3-7,9,12H,1-2H3