N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-yl-ethanamide

Systemtic Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-yl-ethanamide Openeye Name: N-[[4-benzyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-(3-thienyl)acetamide CAS Name: N-[[4-(phenylmethyl)-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-(3-thiophenyl)acetamide IUPAC Name: N-[[4-benzyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-thiophen-3-ylacetamide Traditional Name: N-[[4-benzyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-2-(3-thienyl)acetamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=NC=C3)CNC(=O)CC4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=NC=C3)CNC(=O)CC4=CSC=C4

InChI

InChI=1S/C22H21N5OS2/c28-21(12-19-8-11-29-15-19)24-13-20-25-26-22(30-16-18-6-9-23-10-7-18)27(20)14-17-4-2-1-3-5-17/h1-11,15H,12-14,16H2,(H,24,28)