3-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]indol-1-yl]propanamide

Systemtic Name: 3-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]indol-1-yl]propanamide Openeye Name: 3-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]indol-1-yl]propanamide CAS Name: 3-[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-1-indolyl]propanamide IUPAC Name: 3-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]indol-1-yl]propanamide Traditional Name: 3-[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]indol-1-yl]propionamide Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC(=O)N)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC(=O)N)C=C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N4OS2/c22-12-15(27-21-24-17-6-2-4-8-19(17)28-21)11-14-13-25(10-9-20(23)26)18-7-3-1-5-16(14)18/h1-8,11,13H,9-10H2,(H2,23,26)