2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H25N5OS/c1-28-15-8-13-21(28)17-22-26-27-24(29(22)16-14-19-9-4-2-5-10-19)31-18-23(30)25-20-11-6-3-7-12-20/h2-13,15H,14,16-18H2,1H3,(H,25,30)