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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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