N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H21N5O2S/c1-15-20(16(2)32-30-15)14-33-25-19(6-5-13-26-25)24(31)27-18-11-9-17(10-12-18)23-28-21-7-3-4-8-22(21)29-23/h3-13H,14H2,1-2H3,(H,27,31)(H,28,29)