2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-olate

Systemtic Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-olate Openeye Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-olate CAS Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazololate IUPAC Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-olate Traditional Name: 2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-olate Formula: C23H12N5OS- MolecularWeight: 406.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1C=C(C#N)C4=NC5=CC=CC=C5S4)[O-])C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1/C=C(\C#N)/C4=NC5=CC=CC=C5S4)[O-])C#N

InChI

InChI=1S/C23H13N5OS/c1-13-15(10-14(11-24)22-27-18-7-3-5-9-20(18)30-22)23(29)28-19-8-4-2-6-17(19)26-21(28)16(13)12-25/h2-10,29H,1H3/p-1/b14-10+