N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C18H23ClFN5S MolecularWeight: 395.925123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClFN5S/c1-12-15(13(2)23(3)22-12)11-24-6-8-25(9-7-24)18(26)21-14-4-5-17(20)16(19)10-14/h4-5,10H,6-9,11H2,1-3H3,(H,21,26)