2-[(2-cyanophenyl)methylsulfanyl]-6-methyl-4-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide

Systemtic Name: 2-[(2-cyanophenyl)methylsulfanyl]-6-methyl-4-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-[(2-cyanophenyl)methylsulfanyl]-6-methyl-4-(p-tolyl)-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-[(2-cyanophenyl)methylthio]-6-methyl-4-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-[(2-cyanophenyl)methylsulfanyl]-6-methyl-4-(4-methylphenyl)-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-[(2-cyanobenzyl)thio]-6-methyl-4-(p-tolyl)-1,4-dihydropyrimidine-5-carboxamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=N2)SCC3=CC=CC=C3C#N)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC(=N2)SCC3=CC=CC=C3C#N)C)C(=O)N

InChI

InChI=1S/C21H20N4OS/c1-13-7-9-15(10-8-13)19-18(20(23)26)14(2)24-21(25-19)27-12-17-6-4-3-5-16(17)11-22/h3-10,19H,12H2,1-2H3,(H2,23,26)(H,24,25)