N-(4-bromophenyl)-4-methyl-3-oxidanylidene-2-phenyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-methyl-3-oxidanylidene-2-phenyl-pyrazolidine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-methyl-3-oxo-2-phenyl-pyrazolidine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-methyl-3-oxo-2-phenyl-1-pyrazolidinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-methyl-3-oxo-2-phenylpyrazolidine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-3-keto-4-methyl-2-phenyl-pyrazolidine-1-carbothioamide Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(N(C1=O)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1CN(N(C1=O)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrN3OS/c1-12-11-20(17(23)19-14-9-7-13(18)8-10-14)21(16(12)22)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,19,23)