methyl 2-[[5-(2-phenylquinolin-4-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(2-phenylquinolin-4-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-allyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-phenyl-4-quinolinyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(2-phenylquinolin-4-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C23H20N4O2S MolecularWeight: 416.4955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC=C)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC=C)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O2S/c1-3-13-27-22(25-26-23(27)30-15-21(28)29-2)18-14-20(16-9-5-4-6-10-16)24-19-12-8-7-11-17(18)19/h3-12,14H,1,13,15H2,2H3