1-(2-bromophenyl)-3-[(2,6-diethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(2-bromophenyl)-3-[(2,6-diethylphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2-bromophenyl)-3-(2,6-diethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2-bromophenyl)-3-(2,6-diethylanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2-bromophenyl)-3-(2,6-diethylanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2-bromophenyl)-3-(2,6-diethylanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H24BrN2OS+ MolecularWeight: 468.42916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=C(C(=O)C2=CC=CC=C2Br)[N+]3=CC=CC=C3)S

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=C(C(=O)C2=CC=CC=C2Br)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C24H23BrN2OS/c1-3-17-11-10-12-18(4-2)21(17)26-24(29)22(27-15-8-5-9-16-27)23(28)19-13-6-7-14-20(19)25/h5-16H,3-4H2,1-2H3,(H-,26,28,29)/p+1