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

Systemtic Name: N-(2-cyano-1-benzofuran-3-yl)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanobenzofuran-3-yl)acetamide CAS Name: N-(2-cyano-3-benzofuranyl)-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyano-1-benzofuran-3-yl)acetamide Traditional Name: 2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyanobenzofuran-3-yl)acetamide Formula: C20H15N5O3S MolecularWeight: 405.4298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)NC3=C(OC4=CC=CC=C43)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC(=O)NC3=C(OC4=CC=CC=C43)C#N

InChI

InChI=1S/C20H15N5O3S/c21-10-16-18(14-8-4-5-9-15(14)28-16)22-17(26)12-29-20-24-23-19(27)25(20)11-13-6-2-1-3-7-13/h1-9H,11-12H2,(H,22,26)(H,23,27)