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

Systemtic Name: methyl 4-methyl-2-[(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H19N3O2S3 MolecularWeight: 405.55736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S3/c1-4-9-24-17-20-21-18(26-17)25-10-14-15(16(22)23-3)11(2)12-7-5-6-8-13(12)19-14/h5-8H,4,9-10H2,1-3H3