1-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 1-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 1-(1,3-benzothiazol-2-ylmethylthio)-3-ethyl-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 1-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-ethylpyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 1-(1,3-benzothiazol-2-ylmethylthio)-3-ethyl-pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C22H16N4S2 MolecularWeight: 400.51924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=NC5=CC=CC=C5S4)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=NC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C22H16N4S2/c1-2-14-11-21(27-13-20-24-17-8-4-6-10-19(17)28-20)26-18-9-5-3-7-16(18)25-22(26)15(14)12-23/h3-11H,2,13H2,1H3