3-(ethylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-(ethylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(ethylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(ethylamino)-3-mercapto-1-(4-nitrophenyl)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(ethylamino)-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(ethylamino)-3-mercapto-1-(4-nitrophenyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C16H16N3O3S+ MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S/c1-2-17-16(23)14(18-10-4-3-5-11-18)15(20)12-6-8-13(9-7-12)19(21)22/h3-11H,2H2,1H3,(H-,17,20,23)/p+1