2-(3-methoxyphenyl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3-methoxyphenyl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide Openeye Name: 2-(3-methoxyphenyl)-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide CAS Name: 2-(3-methoxyphenyl)-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(3-methoxyphenyl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide Traditional Name: 2-(3-methoxyphenyl)-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]cinchoninamide Formula: C27H22N4O2S2 MolecularWeight: 498.61918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H22N4O2S2/c1-17-10-12-18(13-11-17)16-34-27-31-30-26(35-27)29-25(32)22-15-24(19-6-5-7-20(14-19)33-2)28-23-9-4-3-8-21(22)23/h3-15H,16H2,1-2H3,(H,29,30,32)