N-[(4-chlorophenyl)methyl]-4-methyl-pyrazole-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-methyl-pyrazole-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-methyl-pyrazole-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-4-methyl-1-pyrazolecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-methylpyrazole-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)-4-methyl-pyrazole-1-carbothioamide Formula: C12H12ClN3S MolecularWeight: 265.76178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1)C(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CN(N=C1)C(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H12ClN3S/c1-9-6-15-16(8-9)12(17)14-7-10-2-4-11(13)5-3-10/h2-6,8H,7H2,1H3,(H,14,17)