3-[[6-[(3,5-dimethylphenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]benzenecarbonitrile

Systemtic Name: 3-[[6-[(3,5-dimethylphenyl)methyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]benzenecarbonitrile Openeye Name: 3-[[6-[(3,5-dimethylphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]benzonitrile CAS Name: 3-[[6-[(3,5-dimethylphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl]thio]benzonitrile IUPAC Name: 3-[[6-[(3,5-dimethylphenyl)methyl]-5-methyl-4-oxo-1H-pyrimidin-2-yl]sulfanyl]benzonitrile Traditional Name: 3-[[6-(3,5-dimethylbenzyl)-4-keto-5-methyl-1H-pyrimidin-2-yl]thio]benzonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2=C(C(=O)N=C(N2)SC3=CC=CC(=C3)C#N)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2=C(C(=O)N=C(N2)SC3=CC=CC(=C3)C#N)C)C

InChI

InChI=1S/C21H19N3OS/c1-13-7-14(2)9-17(8-13)11-19-15(3)20(25)24-21(23-19)26-18-6-4-5-16(10-18)12-22/h4-10H,11H2,1-3H3,(H,23,24,25)