2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1-methylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1-methylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[(1-methylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[(1-methyl-2-benzimidazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(1-methylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[(1-methylbenzimidazol-2-yl)methyl]nicotinamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C21H21N5O2S/c1-13-16(14(2)28-25-13)12-29-21-15(7-6-10-22-21)20(27)23-11-19-24-17-8-4-5-9-18(17)26(19)3/h4-10H,11-12H2,1-3H3,(H,23,27)