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

Systemtic Name: 4-[[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[1,4-dimethyl-5-(o-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[1,4-dimethyl-5-[(2-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[6-keto-1,4-dimethyl-5-(2-methylbenzyl)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=C(N=C(N(C2=O)C)SCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC=CC=C1CC2=C(N=C(N(C2=O)C)SCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H21N3OS/c1-15-6-4-5-7-19(15)12-20-16(2)24-22(25(3)21(20)26)27-14-18-10-8-17(13-23)9-11-18/h4-11H,12,14H2,1-3H3