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

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(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=C2C#N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2C#N

InChI

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