4-[(Z)-3-[(3-methoxyphenyl)amino]-2-(4-propan-2-ylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-enoyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-[(Z)-3-[(3-methoxyphenyl)amino]-2-(4-propan-2-ylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-enoyl]-N-oxidanyl-benzeneamine oxide Openeye Name: N-hydroxy-4-[(Z)-2-(4-isopropylpyridin-1-ium-1-yl)-3-(3-methoxyanilino)-3-sulfanyl-prop-2-enoyl]benzeneamine oxide CAS Name: N-hydroxy-4-[(Z)-3-mercapto-3-(3-methoxyanilino)-1-oxo-2-(4-propan-2-yl-1-pyridin-1-iumyl)prop-2-enyl]benzeneamine oxide IUPAC Name: N-hydroxy-4-[(Z)-3-(3-methoxyanilino)-2-(4-propan-2-ylpyridin-1-ium-1-yl)-3-sulfanylprop-2-enoyl]benzeneamine oxide Traditional Name: N-hydroxy-4-[(Z)-2-(4-isopropylpyridin-1-ium-1-yl)-3-(m-anisidino)-3-mercapto-acryloyl]benzeneamine oxide Formula: C24H26N3O4S+ MolecularWeight: 452.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=[N+](C=C1)C(=C(NC2=CC(=CC=C2)OC)S)C(=O)C3=CC=C(C=C3)[NH+](O)[O-]

Isomeric SMILES

CC(C)C1=CC=[N+](C=C1)/C(=C(/NC2=CC(=CC=C2)OC)\S)/C(=O)C3=CC=C(C=C3)[NH+](O)[O-]

InChI

InChI=1S/C24H25N3O4S/c1-16(2)17-11-13-26(14-12-17)22(23(28)18-7-9-20(10-8-18)27(29)30)24(32)25-19-5-4-6-21(15-19)31-3/h4-16,27,29H,1-3H3,(H-,25,28,32)/p+1