2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-propan-2-yl-1H-pyrazol-2-ium-3-yl)pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(2-isopropyl-1H-pyrazol-2-ium-3-yl)nicotinamide Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=[N+](NC=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=[N+](NC=C3)C(C)C

InChI

InChI=1S/C18H21N5O2S/c1-11(2)23-16(7-9-20-23)21-17(24)14-6-5-8-19-18(14)26-10-15-12(3)22-25-13(15)4/h5-9,11H,10H2,1-4H3,(H,20,21,24)/p+1