(E)-1-(4-ethylphenyl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(4-ethylphenyl)-3-[(phenylmethyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(benzylamino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(4-ethylphenyl)-3-[(phenylmethyl)amino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(benzylamino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(benzylamino)-1-(4-ethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H22N2OS MolecularWeight: 374.49858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=C(C(=S)NCC2=CC=CC=C2)[N+]3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)/C(=C(/C(=S)NCC2=CC=CC=C2)\[N+]3=CC=CC=C3)/[O-]

InChI

InChI=1S/C23H22N2OS/c1-2-18-11-13-20(14-12-18)22(26)21(25-15-7-4-8-16-25)23(27)24-17-19-9-5-3-6-10-19/h3-16H,2,17H2,1H3,(H-,24,26,27)