1-(4-ethylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-ethylphenyl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(4-ethylphenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(4-ethylphenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H21N2OS+ MolecularWeight: 361.47994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2)S)[N+]3=CC=CC=C3

InChI

InChI=1S/C22H20N2OS/c1-2-17-11-13-18(14-12-17)21(25)20(24-15-7-4-8-16-24)22(26)23-19-9-5-3-6-10-19/h3-16H,2H2,1H3,(H-,23,25,26)/p+1