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

Systemtic Name: N-(2-cyano-1-benzofuran-3-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanobenzofuran-3-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-3-benzofuranyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyano-1-benzofuran-3-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanobenzofuran-3-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C25H17N5O2S MolecularWeight: 451.49978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(OC5=CC=CC=C54)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(OC5=CC=CC=C54)C#N

InChI

InChI=1S/C25H17N5O2S/c26-15-21-23(19-13-7-8-14-20(19)32-21)27-22(31)16-33-25-29-28-24(17-9-3-1-4-10-17)30(25)18-11-5-2-6-12-18/h1-14H,16H2,(H,27,31)