N-[[4-(3-bromanyl-4-methylsulfanyl-phenoxy)phenyl]methyl]-4-chloranyl-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[[4-(3-bromanyl-4-methylsulfanyl-phenoxy)phenyl]methyl]-4-chloranyl-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[[4-(3-bromo-4-methylsulfanyl-phenoxy)phenyl]methyl]-4-chloro-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[[4-[3-bromo-4-(methylthio)phenoxy]phenyl]methyl]-4-chloro-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[[4-(3-bromo-4-methylsulfanylphenoxy)phenyl]methyl]-4-chloro-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[4-[3-bromo-4-(methylthio)phenoxy]benzyl]-4-chloro-2,5-dimethyl-pyrazole-3-carboxamide Formula: C20H19BrClN3O2S MolecularWeight: 480.80576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC(=C(C=C3)SC)Br)C

Isomeric SMILES

CC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC(=C(C=C3)SC)Br)C

InChI

InChI=1S/C20H19BrClN3O2S/c1-12-18(22)19(25(2)24-12)20(26)23-11-13-4-6-14(7-5-13)27-15-8-9-17(28-3)16(21)10-15/h4-10H,11H2,1-3H3,(H,23,26)