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

Systemtic Name: methyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-phenyl-quinoline-3-carboxylic acid methyl ester Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c1-13-23-24-21(28-13)27-12-17-19(20(25)26-2)18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)22-17/h3-11H,12H2,1-2H3