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

Systemtic Name: N-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-methoxyphenyl)-2-(m-tolylmethylsulfanyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-methoxyphenyl)-2-[(3-methylphenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: N-(4-methoxyphenyl)-2-[(3-methylbenzyl)thio]-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=C(C=C3)OC)SCC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=C(C=C3)OC)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C27H25N3O2S2/c1-18-7-13-23(14-8-18)34-24-16-28-27(33-17-20-6-4-5-19(2)15-20)30-25(24)26(31)29-21-9-11-22(32-3)12-10-21/h4-16H,17H2,1-3H3,(H,29,31)