1-(4-bromophenyl)-5-methyl-N-phenyl-pyrazole-4-carbothioamide

Systemtic Name: 1-(4-bromophenyl)-5-methyl-N-phenyl-pyrazole-4-carbothioamide Openeye Name: 1-(4-bromophenyl)-5-methyl-N-phenyl-pyrazole-4-carbothioamide CAS Name: 1-(4-bromophenyl)-5-methyl-N-phenyl-4-pyrazolecarbothioamide IUPAC Name: 1-(4-bromophenyl)-5-methyl-N-phenylpyrazole-4-carbothioamide Traditional Name: 1-(4-bromophenyl)-5-methyl-N-phenyl-pyrazole-4-carbothioamide Formula: C17H14BrN3S MolecularWeight: 372.28216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C17H14BrN3S/c1-12-16(17(22)20-14-5-3-2-4-6-14)11-19-21(12)15-9-7-13(18)8-10-15/h2-11H,1H3,(H,20,22)