N-[3-(benzimidazol-1-yl)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCCCN3C=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCCCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O2S/c1-15-12-16(25-28-15)13-29-21-17(6-4-9-23-21)20(27)22-10-5-11-26-14-24-18-7-2-3-8-19(18)26/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,22,27)