3-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(1,3-benzothiazol-2-ylthio)acetyl]indol-1-yl]propionitrile Formula: C20H15N3OS2 MolecularWeight: 377.4826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3OS2/c21-10-5-11-23-12-15(14-6-1-3-8-17(14)23)18(24)13-25-20-22-16-7-2-4-9-19(16)26-20/h1-4,6-9,12H,5,11,13H2