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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-1-azepanecarbothioamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]azepane-1-carbothioamide Traditional Name: N-[1-(4-chlorobenzyl)pyrazol-4-yl]azepane-1-carbothioamide Formula: C17H21ClN4S MolecularWeight: 348.89344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN4S/c18-15-7-5-14(6-8-15)12-22-13-16(11-19-22)20-17(23)21-9-3-1-2-4-10-21/h5-8,11,13H,1-4,9-10,12H2,(H,20,23)