5-(4-chlorophenyl)sulfanyl-2-(phenylmethylsulfanyl)-N-pyridin-2-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-2-(phenylmethylsulfanyl)-N-pyridin-2-yl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-(2-pyridyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-2-(phenylmethylthio)-N-(2-pyridinyl)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-pyridin-2-ylpyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-[(4-chlorophenyl)thio]-N-(2-pyridyl)pyrimidine-4-carboxamide Formula: C23H17ClN4OS2 MolecularWeight: 464.99028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=N3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=N3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClN4OS2/c24-17-9-11-18(12-10-17)31-19-14-26-23(30-15-16-6-2-1-3-7-16)28-21(19)22(29)27-20-8-4-5-13-25-20/h1-14H,15H2,(H,25,27,29)