N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carbothioamide Traditional Name: N-[1-(4-chlorobenzyl)pyrazol-4-yl]pyrrolidine-1-carbothioamide Formula: C15H17ClN4S MolecularWeight: 320.84028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN4S/c16-13-5-3-12(4-6-13)10-20-11-14(9-17-20)18-15(21)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10H2,(H,18,21)