N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H25N5OS2/c1-23(16-24,18-9-10-18)25-21(29)15-31-22-27-26-20(14-19-8-5-13-30-19)28(22)12-11-17-6-3-2-4-7-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,25,29)