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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

Isomeric SMILES

CCCSC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OCC)C

InChI

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