2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCC4

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCCC4

InChI

InChI=1S/C22H27N5OS/c1-25-12-7-10-19(25)16-20-23-24-22(29-17-21(28)26-13-5-6-14-26)27(20)15-11-18-8-3-2-4-9-18/h2-4,7-10,12H,5-6,11,13-17H2,1H3