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

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[(3-methylphenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3-methylanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(3-methylanilino)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3-methylanilino)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(m-toluidino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)C(=C(C2=CC=CS2)[O-])[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H21N3OS2/c1-15-6-4-7-16(14-15)22-21(26)19(20(25)18-8-5-13-27-18)24-11-9-17(10-12-24)23(2)3/h4-14H,1-3H3,(H-,22,25,26)