2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C17H12ClN3OS2 MolecularWeight: 373.87968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H12ClN3OS2/c18-12-3-6-15-14(9-12)21-17(24-15)23-10-16(22)20-13-4-1-11(2-5-13)7-8-19/h1-6,9H,7,10H2,(H,20,22)