methyl 4-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(O3)C4=CC=NC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(O3)C4=CC=NC=C4)C(=O)OC

InChI

InChI=1S/C20H16N4O3S/c1-12-14-5-3-4-6-15(14)22-16(17(12)19(25)26-2)11-28-20-24-23-18(27-20)13-7-9-21-10-8-13/h3-10H,11H2,1-2H3