(E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-chlorophenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-chlorophenyl)amino]-3-sulfanylidene-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-chloroanilino)-3-sulfanylidene-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-3-sulfanylidene-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C22H21ClN2OS2 MolecularWeight: 428.99794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2OS2/c1-22(2,3)15-10-12-25(13-11-15)19(20(26)18-5-4-14-28-18)21(27)24-17-8-6-16(23)7-9-17/h4-14H,1-3H3,(H-,24,26,27)