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

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-N-(4-chlorophenyl)-2-cyano-ethanethioamide Openeye Name: 2-(1,3-benzoxazol-2-yl)-N-(4-chlorophenyl)-2-cyano-thioacetamide CAS Name: 2-(1,3-benzoxazol-2-yl)-N-(4-chlorophenyl)-2-cyanoethanethioamide IUPAC Name: 2-(1,3-benzoxazol-2-yl)-N-(4-chlorophenyl)-2-cyanoethanethioamide Traditional Name: 2-(1,3-benzoxazol-2-yl)-N-(4-chlorophenyl)-2-cyano-thioacetamide Formula: C16H10ClN3OS MolecularWeight: 327.7881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C(C#N)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C(C#N)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H10ClN3OS/c17-10-5-7-11(8-6-10)19-16(22)12(9-18)15-20-13-3-1-2-4-14(13)21-15/h1-8,12H,(H,19,22)