2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]ethanone Formula: C27H25BrN2OS2 MolecularWeight: 537.5342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4S3)(C)C5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4S3)(C)C5=CC=C(C=C5)Br)C

InChI

InChI=1S/C27H25BrN2OS2/c1-26(2)17-27(3,18-12-14-19(28)15-13-18)20-8-4-6-10-22(20)30(26)24(31)16-32-25-29-21-9-5-7-11-23(21)33-25/h4-15H,16-17H2,1-3H3