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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-N-phenyl-pyrimidine-4-carboxamide Openeye Name: 2-(o-tolylmethylsulfanyl)-N-phenyl-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(2-methylphenyl)methylthio]-5-[(4-methylphenyl)thio]-N-phenyl-4-pyrimidinecarboxamide IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-N-phenylpyrimidine-4-carboxamide Traditional Name: 2-[(2-methylbenzyl)thio]-N-phenyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C26H23N3OS2 MolecularWeight: 457.61032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC=C3)SCC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC=C3)SCC4=CC=CC=C4C

InChI

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