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

Systemtic Name: N-(2-cyano-1-benzofuran-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanobenzofuran-3-yl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyano-3-benzofuranyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyano-1-benzofuran-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanobenzofuran-3-yl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H13N5O2S2 MolecularWeight: 395.45812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C#N)NC(=O)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C#N)NC(=O)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C18H13N5O2S2/c19-9-14-17(12-5-1-2-6-13(12)25-14)21-16(24)10-27-18-20-15(22-23-18)8-11-4-3-7-26-11/h1-7H,8,10H2,(H,21,24)(H,20,22,23)