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

Systemtic Name: 3-[(4-ethyl-1-methyl-6-oxidanylidene-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-ethyl-1-methyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-ethyl-1-methyl-6-oxo-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-ethyl-6-keto-1-methyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C15H15N3OS MolecularWeight: 285.3641

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N(C(=N1)SCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCC1=CC(=O)N(C(=N1)SCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C15H15N3OS/c1-3-13-8-14(19)18(2)15(17-13)20-10-12-6-4-5-11(7-12)9-16/h4-8H,3,10H2,1-2H3