1-(1-benzofuran-2-yl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(1-benzofuran-2-yl)-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-(benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-(2-benzofuranyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-(1-benzofuran-2-yl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-(benzofuran-2-yl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H17N2O2S+ MolecularWeight: 373.44758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=C(C(=O)C2=CC3=CC=CC=C3O2)[N+]4=CC=CC=C4)S

Isomeric SMILES

C1=CC=C(C=C1)NC(=C(C(=O)C2=CC3=CC=CC=C3O2)[N+]4=CC=CC=C4)S

InChI

InChI=1S/C22H16N2O2S/c25-21(19-15-16-9-5-6-12-18(16)26-19)20(24-13-7-2-8-14-24)22(27)23-17-10-3-1-4-11-17/h1-15H,(H-,23,25,27)/p+1