2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chloranylthiophen-2-yl)-3-(cyclopropylamino)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chloranylthiophen-2-yl)-3-(cyclopropylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chloro-2-thienyl)-3-(cyclopropylamino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(5-chloro-2-thiophenyl)-3-(cyclopropylamino)-3-mercapto-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chlorothiophen-2-yl)-3-(cyclopropylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(5-chloro-2-thienyl)-3-(cyclopropylamino)-3-mercapto-prop-2-en-1-one Formula: C19H22ClN2OS2+ MolecularWeight: 393.97378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NC2CC2)S)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NC2CC2)S)C(=O)C3=CC=C(S3)Cl

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)/p+1