N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[4-(3,4-dichlorophenyl)-2-thiazolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C17H13Cl2N3O2S2 MolecularWeight: 426.34002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)Cl)Cl)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)Cl)Cl)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H13Cl2N3O2S2/c1-10(26-15-4-2-3-7-22(15)24)16(23)21-17-20-14(9-25-17)11-5-6-12(18)13(19)8-11/h2-10H,1H3,(H,20,21,23)