3-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3OS/c1-15-19(12-16-7-4-3-5-8-16)20(25)24(2)21(23-15)26-14-18-10-6-9-17(11-18)13-22/h3-11H,12,14H2,1-2H3