2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyano-1-benzofuran-3-yl)ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyano-1-benzofuran-3-yl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanobenzofuran-3-yl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyano-3-benzofuranyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyano-1-benzofuran-3-yl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanobenzofuran-3-yl)acetamide Formula: C13H10N6O2S MolecularWeight: 314.3225

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C#N)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C#N)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C13H10N6O2S/c14-5-9-11(7-3-1-2-4-8(7)21-9)16-10(20)6-22-13-17-12(15)18-19-13/h1-4H,6H2,(H,16,20)(H3,15,17,18,19)