N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-(o-tolyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(2-methylphenyl)-2-[(3-methylphenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-(o-tolyl)-5-(phenylthio)pyrimidine-4-carboxamide Formula: C26H23N3OS2 MolecularWeight: 457.61032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3C)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3C)SC4=CC=CC=C4

InChI

InChI=1S/C26H23N3OS2/c1-18-9-8-11-20(15-18)17-31-26-27-16-23(32-21-12-4-3-5-13-21)24(29-26)25(30)28-22-14-7-6-10-19(22)2/h3-16H,17H2,1-2H3,(H,28,30)