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

Systemtic Name: N-(3-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(3-hydroxyphenyl)-2-(o-tolylmethylsulfanyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(3-hydroxyphenyl)-2-[(2-methylphenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(3-hydroxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(3-hydroxyphenyl)-2-[(2-methylbenzyl)thio]-5-(phenylthio)pyrimidine-4-carboxamide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O2S2/c1-17-8-5-6-9-18(17)16-31-25-26-15-22(32-21-12-3-2-4-13-21)23(28-25)24(30)27-19-10-7-11-20(29)14-19/h2-15,29H,16H2,1H3,(H,27,30)