1-[[2-(2-bromoethylsulfanyl)phenyl]-(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-yl-pyrazole

Systemtic Name: 1-[[2-(2-bromoethylsulfanyl)phenyl]-(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-yl-pyrazole Openeye Name: 1-[[2-(2-bromoethylsulfanyl)phenyl]-(3-isopropylpyrazol-1-yl)methyl]-3-isopropyl-pyrazole CAS Name: 1-[[2-(2-bromoethylthio)phenyl]-(3-propan-2-yl-1-pyrazolyl)methyl]-3-propan-2-ylpyrazole IUPAC Name: 1-[[2-(2-bromoethylsulfanyl)phenyl]-(3-propan-2-ylpyrazol-1-yl)methyl]-3-propan-2-ylpyrazole Traditional Name: 1-[[2-(2-bromoethylthio)phenyl]-(3-isopropylpyrazol-1-yl)methyl]-3-isopropyl-pyrazole Formula: C21H27BrN4S MolecularWeight: 447.43488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2SCCBr)N3C=CC(=N3)C(C)C

Isomeric SMILES

CC(C)C1=NN(C=C1)C(C2=CC=CC=C2SCCBr)N3C=CC(=N3)C(C)C

InChI

InChI=1S/C21H27BrN4S/c1-15(2)18-9-12-25(23-18)21(26-13-10-19(24-26)16(3)4)17-7-5-6-8-20(17)27-14-11-22/h5-10,12-13,15-16,21H,11,14H2,1-4H3