2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]-1,3,4-thiadiazole

Systemtic Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-[[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methylthio]-1,3,4-thiadiazole IUPAC Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-[[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl]thio]-1,3,4-thiadiazole Formula: C22H21N3O2S3 MolecularWeight: 455.61604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NN=CS4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NN=CS4)S(=O)(=O)C

InChI

InChI=1S/C22H21N3O2S3/c1-22(2,30(3,26)27)18-11-17-8-5-9-23-20(17)19(12-18)16-7-4-6-15(10-16)13-28-21-25-24-14-29-21/h4-12,14H,13H2,1-3H3