4-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H17N3OS/c1-14-18(11-15-5-3-2-4-6-15)19(24)23-20(22-14)25-13-17-9-7-16(12-21)8-10-17/h2-10H,11,13H2,1H3,(H,22,23,24)