3-[(2,6-diethylphenyl)amino]-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(2,6-diethylphenyl)amino]-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,6-diethylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,6-diethylanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,6-diethylanilino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,6-diethylanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C26H29N2OS+ MolecularWeight: 417.58626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2OS/c1-5-20-11-10-12-21(6-2)23(20)27-26(30)24(28-15-8-7-9-16-28)25(29)22-14-13-18(3)19(4)17-22/h7-17H,5-6H2,1-4H3,(H-,27,29,30)/p+1