N-(4-bromanyl-2-chloranyl-phenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C17H21BrClN5S MolecularWeight: 442.80414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H21BrClN5S/c1-12-13(10-20-22(12)2)11-23-5-7-24(8-6-23)17(25)21-16-4-3-14(18)9-15(16)19/h3-4,9-10H,5-8,11H2,1-2H3,(H,21,25)