[3-(4-bromophenyl)-1-methyl-pyrazol-4-yl]methanethiol

Systemtic Name: [3-(4-bromophenyl)-1-methyl-pyrazol-4-yl]methanethiol Openeye Name: [3-(4-bromophenyl)-1-methyl-pyrazol-4-yl]methanethiol CAS Name: [3-(4-bromophenyl)-1-methyl-4-pyrazolyl]methanethiol IUPAC Name: [3-(4-bromophenyl)-1-methylpyrazol-4-yl]methanethiol Traditional Name: [3-(4-bromophenyl)-1-methyl-pyrazol-4-yl]methanethiol Formula: C11H11BrN2S MolecularWeight: 283.18744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)Br)CS

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)Br)CS

InChI

InChI=1S/C11H11BrN2S/c1-14-6-9(7-15)11(13-14)8-2-4-10(12)5-3-8/h2-6,15H,7H2,1H3