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

Systemtic Name: methyl 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-(butylthio)-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:

CCCCSC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

Isomeric SMILES

CCCCSC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

InChI

InChI=1S/C19H21N3O2S3/c1-4-5-10-25-18-21-22-19(27-18)26-11-15-16(17(23)24-3)12(2)13-8-6-7-9-14(13)20-15/h6-9H,4-5,10-11H2,1-3H3