6-[3-[(4-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-[(4-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(4-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(4-fluoroanilino)-3-mercapto-1-oxo-2-(1-pyridin-1-iumyl)prop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(4-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(4-fluoroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-acryloyl]-4H-1,4-benzoxazin-3-one Formula: C22H17FN3O3S+ MolecularWeight: 422.452083

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C(=C(NC3=CC=C(C=C3)F)S)[N+]4=CC=CC=C4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C(=C(NC3=CC=C(C=C3)F)S)[N+]4=CC=CC=C4

InChI

InChI=1S/C22H16FN3O3S/c23-15-5-7-16(8-6-15)24-22(30)20(26-10-2-1-3-11-26)21(28)14-4-9-18-17(12-14)25-19(27)13-29-18/h1-12H,13H2,(H2-,24,25,27,28,30)/p+1