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

Systemtic Name: 3-[(2,6-diethylphenyl)amino]-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,6-diethylanilino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,6-diethylanilino)-3-mercapto-1-phenyl-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,6-diethylanilino)-1-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,6-diethylanilino)-3-mercapto-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2OS/c1-3-18-14-11-15-19(4-2)21(18)25-24(28)22(26-16-9-6-10-17-26)23(27)20-12-7-5-8-13-20/h5-17H,3-4H2,1-2H3,(H-,25,27,28)/p+1