N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(phenylmethyl)quinolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(3-benzyl-2-quinolyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[3-(phenylmethyl)-2-quinolinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinolin-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[(3-benzyl-2-quinolyl)thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CSC2=NC3=CC=CC=C3C=C2CC4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS2/c1-14-24-25-21(28-14)23-19(26)13-27-20-17(11-15-7-3-2-4-8-15)12-16-9-5-6-10-18(16)22-20/h2-10,12H,11,13H2,1H3,(H,23,25,26)