N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide CAS Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide Traditional Name: 2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide Formula: C25H20FN5OS2 MolecularWeight: 489.587603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C25H20FN5OS2/c26-17-9-11-18(12-10-17)31-22(13-16-5-2-1-3-6-16)29-30-25(31)33-15-23(32)28-24-20(14-27)19-7-4-8-21(19)34-24/h1-3,5-6,9-12H,4,7-8,13,15H2,(H,28,32)