2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(cyanomethyl)phenyl]acetamide Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

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