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

Systemtic Name: methyl 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

InChI

InChI=1S/C19H22N4O2S2/c1-4-5-10-20-18-22-23-19(27-18)26-11-15-16(17(24)25-3)12(2)13-8-6-7-9-14(13)21-15/h6-9H,4-5,10-11H2,1-3H3,(H,20,22)