(2S)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenyl-ethanethioamide

Systemtic Name: (2S)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenyl-ethanethioamide Openeye Name: (2S)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenyl-thioacetamide CAS Name: (2S)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenylethanethioamide IUPAC Name: (2S)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenylethanethioamide Traditional Name: (2S)-2-(1H-benzimidazol-2-yl)-2-cyano-N-phenyl-thioacetamide Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)[C@@H](C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H12N4S/c17-10-12(16(21)18-11-6-2-1-3-7-11)15-19-13-8-4-5-9-14(13)20-15/h1-9,12H,(H,18,21)(H,19,20)/t12-/m0/s1