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

Systemtic Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-26-14-8-13-19(26)15-20-24-25-22(27(20)18-11-6-3-7-12-18)29-16-21(28)23-17-9-4-2-5-10-17/h2-14H,15-16H2,1H3,(H,23,28)