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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H15N3OS/c1-2-4-13-8-14(19)18-15(17-13)20-10-12-6-3-5-11(7-12)9-16/h3,5-8H,2,4,10H2,1H3,(H,17,18,19)