1-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-(5-chloro-2-thienyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-3-(prop-2-enylamino)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-2-(3-methylpyridin-1-ium-1-yl)-3-(prop-2-enylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-1-(5-chloro-2-thienyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C16H16ClN2OS2+ MolecularWeight: 351.89404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NCC=C)S)C(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NCC=C)S)C(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C16H15ClN2OS2/c1-3-8-18-16(21)14(19-9-4-5-11(2)10-19)15(20)12-6-7-13(17)22-12/h3-7,9-10H,1,8H2,2H3,(H-,18,20,21)/p+1