3-phenylazanyl-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 3-phenylazanyl-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-anilino-2-(4-propylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-2-(4-propyl-1-pyridin-1-iumyl)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-anilino-2-(4-propylpyridin-1-ium-1-yl)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-anilino-2-(4-propylpyridin-1-ium-1-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C21H20N2OS2 MolecularWeight: 380.5263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(=C(C2=CC=CS2)[O-])C(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC=[N+](C=C1)C(=C(C2=CC=CS2)[O-])C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N2OS2/c1-2-7-16-11-13-23(14-12-16)19(20(24)18-10-6-15-26-18)21(25)22-17-8-4-3-5-9-17/h3-6,8-15H,2,7H2,1H3,(H-,22,24,25)