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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H21N5O2S/c1-25(18-8-4-3-5-9-18)20(28)16-30-22-24-23-21(27(22)26-14-6-7-15-26)17-10-12-19(29-2)13-11-17/h3-15H,16H2,1-2H3