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

Systemtic Name: 4-[(1-methyl-6-oxidanylidene-4-propyl-pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(1-methyl-6-oxo-4-propyl-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(1-methyl-6-oxo-4-propyl-2-pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(1-methyl-6-oxo-4-propylpyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-keto-1-methyl-4-propyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3OS/c1-3-4-14-9-15(20)19(2)16(18-14)21-11-13-7-5-12(10-17)6-8-13/h5-9H,3-4,11H2,1-2H3