2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-cyano-ethanethioamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-cyano-ethanethioamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-cyano-thioacetamide CAS Name: 2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-cyanoethanethioamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-cyanoethanethioamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-cyano-thioacetamide Formula: C16H10ClN3S2 MolecularWeight: 343.8537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H10ClN3S2/c17-10-5-7-11(8-6-10)19-15(21)12(9-18)16-20-13-3-1-2-4-14(13)22-16/h1-8,12H,(H,19,21)