[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methoxy-4-oxidanyl-phenyl]methylidene-cyano-ethanoyl-azanium

Systemtic Name: [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methoxy-4-oxidanyl-phenyl]methylidene-cyano-ethanoyl-azanium Openeye Name: acetyl-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]methylene]-cyano-ammonium CAS Name: acetyl-[[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxyphenyl]methylidene]-cyanoammonium IUPAC Name: acetyl-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]methylidene]-cyanoazanium Traditional Name: acetyl-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-hydroxy-5-methoxy-benzylidene]-cyano-ammonium Formula: C19H16N3O3S2+ MolecularWeight: 398.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](=CC1=CC(=C(C(=C1)OC)O)CSC2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CC(=O)[N+](=CC1=CC(=C(C(=C1)OC)O)CSC2=NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C19H15N3O3S2/c1-12(23)22(11-20)9-13-7-14(18(24)16(8-13)25-2)10-26-19-21-15-5-3-4-6-17(15)27-19/h3-9H,10H2,1-2H3/p+1