N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[[5-(2-dimethylaminoethylthio)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[[5-(2-dimethylaminoethylsulfanyl)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[[5-(2-dimethylaminoethylthio)-4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-(2-pyridylthio)acetamide Formula: C21H26N6O2S2 MolecularWeight: 458.60014

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NN=C(N1C2=CC(=CC=C2)OC)CNC(=O)CSC3=CC=CC=N3

Isomeric SMILES

CN(C)CCSC1=NN=C(N1C2=CC(=CC=C2)OC)CNC(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H26N6O2S2/c1-26(2)11-12-30-21-25-24-18(27(21)16-7-6-8-17(13-16)29-3)14-23-19(28)15-31-20-9-4-5-10-22-20/h4-10,13H,11-12,14-15H2,1-3H3,(H,23,28)