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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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