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

Systemtic Name: methyl 4-methyl-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(S3)NC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(S3)NC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O2S2/c1-13-15-10-6-7-11-16(15)23-17(18(13)19(26)27-2)12-28-21-25-24-20(29-21)22-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,22,24)