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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-(o-tolylmethylsulfanyl)-N-phenyl-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: 2-[(2-methylphenyl)methylthio]-N-phenyl-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(2-methylbenzyl)thio]-N-phenyl-5-(phenylthio)pyrimidine-4-carboxamide Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3OS2/c1-18-10-8-9-11-19(18)17-30-25-26-16-22(31-21-14-6-3-7-15-21)23(28-25)24(29)27-20-12-4-2-5-13-20/h2-16H,17H2,1H3,(H,27,29)