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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C#N)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C#N)C4=CC5=CC=CC=C5O4

InChI

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