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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=CC=CC=C3SCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=CC=CC=C3SCCC#N

InChI

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