1-(2-chlorophenyl)-3-phenylazanyl-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2-chlorophenyl)-3-phenylazanyl-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(2-chlorophenyl)-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(2-chlorophenyl)-3-mercapto-2-(4-propyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(2-chlorophenyl)-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(2-chlorophenyl)-3-mercapto-2-(4-propylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C23H22ClN2OS+ MolecularWeight: 409.95158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCCC1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H21ClN2OS/c1-2-8-17-13-15-26(16-14-17)21(22(27)19-11-6-7-12-20(19)24)23(28)25-18-9-4-3-5-10-18/h3-7,9-16H,2,8H2,1H3,(H-,25,27,28)/p+1