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

Systemtic Name: methyl 4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C16H15N3O2S3 MolecularWeight: 377.5042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2S3/c1-9-10-6-4-5-7-11(10)17-12(13(9)14(20)21-2)8-23-16-19-18-15(22-3)24-16/h4-7H,8H2,1-3H3