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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4C

InChI

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