N-[(4-methylphenyl)methyl]-5-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-5-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(4-methyl-2-quinolyl)sulfanylmethyl]-N-(p-tolylmethyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-[[(4-methyl-2-quinolinyl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: N-(4-methylbenzyl)-5-[[(4-methyl-2-quinolyl)thio]methyl]-1,3,4-thiadiazole-2-carboxamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

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