2-(4-methoxyphenyl)-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-methoxyphenyl)-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 2-(4-methoxyphenyl)-4-methyl-6-(p-tolylmethylsulfanyl)pyrimidine-5-carbonitrile CAS Name: 2-(4-methoxyphenyl)-4-methyl-6-[(4-methylphenyl)methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-methoxyphenyl)-4-methyl-6-[(4-methylphenyl)methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 2-(4-methoxyphenyl)-4-methyl-6-[(4-methylbenzyl)thio]pyrimidine-5-carbonitrile Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=NC(=C2C#N)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=NC(=C2C#N)C)C3=CC=C(C=C3)OC

InChI

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