(E)-3-[(2-chlorophenyl)amino]-1-(4-nitrophenyl)-2-(4-propan-2-ylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (E)-3-[(2-chlorophenyl)amino]-1-(4-nitrophenyl)-2-(4-propan-2-ylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: (E)-3-(2-chloroanilino)-2-(4-isopropylpyridin-1-ium-1-yl)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: (E)-3-(2-chloroanilino)-3-mercapto-1-(4-nitrophenyl)-2-(4-propan-2-yl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(2-chloroanilino)-1-(4-nitrophenyl)-2-(4-propan-2-ylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: (E)-3-(2-chloroanilino)-2-(4-isopropylpyridin-1-ium-1-yl)-3-mercapto-1-(4-nitrophenyl)prop-2-en-1-one Formula: C23H21ClN3O3S+ MolecularWeight: 454.94914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2Cl)S)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=[N+](C=C1)/C(=C(\NC2=CC=CC=C2Cl)/S)/C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN3O3S/c1-15(2)16-11-13-26(14-12-16)21(23(31)25-20-6-4-3-5-19(20)24)22(28)17-7-9-18(10-8-17)27(29)30/h3-15H,1-2H3,(H-,25,28,31)/p+1