(E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chloranylthiophen-2-yl)-3-(cyclopropylamino)-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chloranylthiophen-2-yl)-3-(cyclopropylamino)-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chloro-2-thienyl)-3-(cyclopropylamino)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(5-chloro-2-thiophenyl)-3-(cyclopropylamino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chlorothiophen-2-yl)-3-(cyclopropylamino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chloro-2-thienyl)-3-(cyclopropylamino)-3-thioxo-prop-1-en-1-olate Formula: C19H21ClN2OS2 MolecularWeight: 392.96584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC=C(S2)Cl)[O-])C(=S)NC3CC3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)/C(=C(\C2=CC=C(S2)Cl)/[O-])/C(=S)NC3CC3

InChI

InChI=1S/C19H21ClN2OS2/c1-19(2,3)12-8-10-22(11-9-12)16(18(24)21-13-4-5-13)17(23)14-6-7-15(20)25-14/h6-11,13H,4-5H2,1-3H3,(H-,21,23,24)