N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H17N3O2S2/c1-12-6-7-13(2)14(9-12)15-10-25-18(19-15)20-16(22)11-24-17-5-3-4-8-21(17)23/h3-10H,11H2,1-2H3,(H,19,20,22)