2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylazanyl-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-anilino-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-anilino-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-anilino-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C20H19N3OS2 MolecularWeight: 381.51436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3OS2/c1-22(2)16-10-12-23(13-11-16)18(19(24)17-9-6-14-26-17)20(25)21-15-7-4-3-5-8-15/h3-14H,1-2H3,(H-,21,24,25)