N-[2-(2-cyanoethylsulfanyl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)SCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C2)N=CS3)SCCC#N

InChI

InChI=1S/C17H13N3OS2/c18-8-3-9-22-15-5-2-1-4-14(15)20-17(21)12-6-7-13-16(10-12)23-11-19-13/h1-2,4-7,10-11H,3,9H2,(H,20,21)