N-(3,3-diphenylpropyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,3-diphenylpropyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,3-diphenylpropyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3,3-diphenylpropyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3,3-diphenylpropyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3,3-diphenylpropyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)CSC2=CC=CC=[N+]2[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)CSC2=CC=CC=[N+]2[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2S/c25-21(17-27-22-13-7-8-16-24(22)26)23-15-14-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-13,16,20H,14-15,17H2,(H,23,25)