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

Systemtic Name: methyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O2S2/c1-8-9-5-3-4-6-10(9)17-11(12(8)13(20)21-2)7-22-15-19-18-14(16)23-15/h3-6H,7H2,1-2H3,(H2,16,18)