3-[(1-methyl-6-oxidanylidene-4-propan-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(1-methyl-6-oxidanylidene-4-propan-2-yl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-isopropyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(1-methyl-6-oxo-4-propan-2-yl-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(1-methyl-6-oxo-4-propan-2-ylpyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-isopropyl-6-keto-1-methyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N(C(=N1)SCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC(C)C1=CC(=O)N(C(=N1)SCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C16H17N3OS/c1-11(2)14-8-15(20)19(3)16(18-14)21-10-13-6-4-5-12(7-13)9-17/h4-8,11H,10H2,1-3H3