3-[(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(1,4-dimethyl-6-oxo-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C14H13N3OS/c1-10-6-13(18)17(2)14(16-10)19-9-12-5-3-4-11(7-12)8-15/h3-7H,9H2,1-2H3