2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H18N2O3S/c23-19(15-26-20-8-4-5-13-22(20)24)21-17-9-11-18(12-10-17)25-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,21,23)