N-[2-(3-methylphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

Systemtic Name: N-[2-(3-methylphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Openeye Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(m-tolyl)ethyl]quinoline-4-carboxamide CAS Name: N-[2-(3-methylphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(3-methylphenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Traditional Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-N-[2-(m-tolyl)ethyl]cinchoninamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=NN=C(S4)C

Isomeric SMILES

CC1=CC(=CC=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=NN=C(S4)C

InChI

InChI=1S/C22H20N4OS2/c1-14-6-5-7-16(12-14)10-11-23-21(27)18-13-20(29-22-26-25-15(2)28-22)24-19-9-4-3-8-17(18)19/h3-9,12-13H,10-11H2,1-2H3,(H,23,27)