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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[(5-pyrrolidinosulfonyl-2-thienyl)methyl]nicotinamide Formula: C21H24N4O4S3 MolecularWeight: 492.63466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N4O4S3/c1-14-18(15(2)29-24-14)13-30-21-17(6-5-9-22-21)20(26)23-12-16-7-8-19(31-16)32(27,28)25-10-3-4-11-25/h5-9H,3-4,10-13H2,1-2H3,(H,23,26)