2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone Formula: C21H18BrN3OS MolecularWeight: 440.35612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3OS/c22-17-9-7-15(8-10-17)18-11-12-23-21(24-18)27-14-20(26)25-13-3-5-16-4-1-2-6-19(16)25/h1-2,4,6-12H,3,5,13-14H2