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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(allylamino)-1-(5-chloro-2-thienyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(5-chloro-2-thiophenyl)-3-mercapto-3-(prop-2-enylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(5-chlorothiophen-2-yl)-3-(prop-2-enylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(allylamino)-1-(5-chloro-2-thienyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C15H14ClN2OS2+ MolecularWeight: 337.86746

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC=C2)S

Isomeric SMILES

C=CCNC(=C(C(=O)C1=CC=C(S1)Cl)[N+]2=CC=CC=C2)S

InChI

InChI=1S/C15H13ClN2OS2/c1-2-8-17-15(20)13(18-9-4-3-5-10-18)14(19)11-6-7-12(16)21-11/h2-7,9-10H,1,8H2,(H-,17,19,20)/p+1