bis(cyanomethyl)-[[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(cyanomethyl)-[[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-7-yl]methyl]ammonium CAS Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: bis(cyanomethyl)-[[(2Z)-6-hydroxy-3-keto-2-[(3-methyl-2-thienyl)methylene]coumaran-7-yl]methyl]ammonium Formula: C19H16N3O3S+ MolecularWeight: 366.41364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

Isomeric SMILES

CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](CC#N)CC#N

InChI

InChI=1S/C19H15N3O3S/c1-12-4-9-26-17(12)10-16-18(24)13-2-3-15(23)14(19(13)25-16)11-22(7-5-20)8-6-21/h2-4,9-10,23H,7-8,11H2,1H3/p+1/b16-10-