4-chloranyl-6-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-chloranyl-6-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-chloro-6-(p-tolyl)pyrimidine-5-carbonitrile CAS Name: 4-chloro-6-(4-methylphenyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-chloro-6-(4-methylphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-chloro-6-(p-tolyl)pyrimidine-5-carbonitrile Formula: C19H14ClN3S MolecularWeight: 351.85256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=CC=CC=C3)Cl)C#N

InChI

InChI=1S/C19H14ClN3S/c1-13-7-9-15(10-8-13)17-16(11-21)18(20)23-19(22-17)24-12-14-5-3-2-4-6-14/h2-10H,12H2,1H3