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

Systemtic Name: 4-[[4-methyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(2-benzylsulfanyl-4-methyl-6-oxo-pyrimidin-1-yl)methyl]benzonitrile CAS Name: 4-[[4-methyl-6-oxo-2-(phenylmethylthio)-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[[2-(benzylthio)-6-keto-4-methyl-pyrimidin-1-yl]methyl]benzonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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