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

Systemtic Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)acetamide CAS Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide Traditional Name: 2-[[5-[(2-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)acetamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C27H23N5O2S/c1-19-9-5-6-15-24(19)34-17-25-30-31-27(32(25)20-10-3-2-4-11-20)35-18-26(33)29-23-14-7-13-22-21(23)12-8-16-28-22/h2-16H,17-18H2,1H3,(H,29,33)