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

Systemtic Name: 2-[(2-cyanophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 2-[(2-cyanophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 2-[(2-cyanophenyl)methylthio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 2-[(2-cyanophenyl)methylsulfanyl]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 2-[(2-cyanobenzyl)thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SCC2=CC=CC=C2C#N)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C(N=C(N1)SCC2=CC=CC=C2C#N)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C20H18N4OS/c1-13-17(19(22)25)18(14-7-3-2-4-8-14)24-20(23-13)26-12-16-10-6-5-9-15(16)11-21/h2-10,18H,12H2,1H3,(H2,22,25)(H,23,24)