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

Systemtic Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-22-10-5-8-15(22)12-17-20-21-18(25-13-16(19)24)23(17)11-9-14-6-3-2-4-7-14/h2-8,10H,9,11-13H2,1H3,(H2,19,24)