4-[(4-bromophenyl)sulfanylmethyl]-5-chloranyl-1-methyl-3-phenyl-pyrazole

Systemtic Name: 4-[(4-bromophenyl)sulfanylmethyl]-5-chloranyl-1-methyl-3-phenyl-pyrazole Openeye Name: 4-[(4-bromophenyl)sulfanylmethyl]-5-chloro-1-methyl-3-phenyl-pyrazole CAS Name: 4-[[(4-bromophenyl)thio]methyl]-5-chloro-1-methyl-3-phenylpyrazole IUPAC Name: 4-[(4-bromophenyl)sulfanylmethyl]-5-chloro-1-methyl-3-phenylpyrazole Traditional Name: 4-[[(4-bromophenyl)thio]methyl]-5-chloro-1-methyl-3-phenyl-pyrazole Formula: C17H14BrClN2S MolecularWeight: 393.72846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)CSC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C17H14BrClN2S/c1-21-17(19)15(11-22-14-9-7-13(18)8-10-14)16(20-21)12-5-3-2-4-6-12/h2-10H,11H2,1H3