(E)-3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-(cyclopropylamino)-1-(3,4-dimethylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C19H20N2OS MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NC2CC2)[N+]3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NC2CC2)\[N+]3=CC=CC=C3)/[O-])C

InChI

InChI=1S/C19H20N2OS/c1-13-6-7-15(12-14(13)2)18(22)17(19(23)20-16-8-9-16)21-10-4-3-5-11-21/h3-7,10-12,16H,8-9H2,1-2H3,(H-,20,22,23)