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

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3OS/c1-9-5-12(17)16-13(15-9)18-8-11-4-2-3-10(6-11)7-14/h2-6H,8H2,1H3,(H,15,16,17)