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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCC#N)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NCC#N)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

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