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

Systemtic Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]methylthio]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]methylsulfanyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]benzyl]thio]-6-nitro-1,3-benzothiazole Formula: C27H23N3O4S3 MolecularWeight: 549.68422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C27H23N3O4S3/c1-27(2,37(3,33)34)20-13-19-8-5-11-28-25(19)22(14-20)18-7-4-6-17(12-18)16-35-26-29-23-10-9-21(30(31)32)15-24(23)36-26/h4-15H,16H2,1-3H3