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

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[(5-p-anisyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]-N-phenyl-acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N3C=CC=C3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-29-19-11-9-17(10-12-19)15-20-24-25-22(27(20)26-13-5-6-14-26)30-16-21(28)23-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,23,28)