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

Systemtic Name: methyl 4-methyl-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 2-[(5-isobutylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[5-(2-methylpropylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 2-[[[5-(isobutylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C19H21N3O2S3 MolecularWeight: 419.58394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(S3)SCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(S3)SCC(C)C)C(=O)OC

InChI

InChI=1S/C19H21N3O2S3/c1-11(2)9-25-18-21-22-19(27-18)26-10-15-16(17(23)24-4)12(3)13-7-5-6-8-14(13)20-15/h5-8,11H,9-10H2,1-4H3