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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(OC4=CC=CC=C43)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=C(OC4=CC=CC=C43)C#N

InChI

InChI=1S/C20H15N5O3S/c1-27-13-8-6-12(7-9-13)19-23-20(25-24-19)29-11-17(26)22-18-14-4-2-3-5-15(14)28-16(18)10-21/h2-9H,11H2,1H3,(H,22,26)(H,23,24,25)