5-bromanyl-2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]aniline

Systemtic Name: 5-bromanyl-2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]aniline Openeye Name: 5-bromo-2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylsulfanyl]aniline CAS Name: 5-bromo-2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methylthio]aniline IUPAC Name: 5-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylsulfanyl]aniline Traditional Name: [5-bromo-2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methylthio]phenyl]amine Formula: C12H13BrClN3S MolecularWeight: 346.67372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CSC2=C(C=C(C=C2)Br)N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CSC2=C(C=C(C=C2)Br)N)Cl)C

InChI

InChI=1S/C12H13BrClN3S/c1-7-9(12(14)17(2)16-7)6-18-11-4-3-8(13)5-10(11)15/h3-5H,6,15H2,1-2H3