5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-2-(o-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-[(4-chlorophenyl)thio]-N-(4-methoxyphenyl)-2-[(2-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C26H22ClN3O2S2 MolecularWeight: 508.05478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)OC)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=C(C=C3)OC)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3O2S2/c1-17-5-3-4-6-18(17)16-33-26-28-15-23(34-22-13-7-19(27)8-14-22)24(30-26)25(31)29-20-9-11-21(32-2)12-10-20/h3-15H,16H2,1-2H3,(H,29,31)