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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=NC(=C2C#N)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=NC(=C2C#N)C)C3=CC=C(C=C3)OC

InChI

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