5-(4-chlorophenyl)sulfanyl-2-(phenylmethylsulfanyl)-N-pyridin-3-yl-pyrimidine-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-2-(phenylmethylsulfanyl)-N-pyridin-3-yl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-(3-pyridyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-2-(phenylmethylthio)-N-(3-pyridinyl)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-[(4-chlorophenyl)thio]-N-(3-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=CN=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CN=CC=C3)SC4=CC=C(C=C4)Cl

InChI

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