2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[[2-(3-bromophenyl)thiazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[[2-(3-bromophenyl)-4-thiazolyl]methylthio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[[2-(3-bromophenyl)thiazol-4-yl]methylthio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C21H18BrN3OS2 MolecularWeight: 472.42112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=CSC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSCC3=CSC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H18BrN3OS2/c22-17-8-4-7-16(11-17)21-23-18(13-28-21)12-27-14-20(26)25-10-9-19(24-25)15-5-2-1-3-6-15/h1-8,11,13H,9-10,12,14H2