1-[(2-chlorophenyl)methyl]-3-isothiocyanato-4,5-dimethyl-pyrazole

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-isothiocyanato-4,5-dimethyl-pyrazole Openeye Name: 1-[(2-chlorophenyl)methyl]-3-isothiocyanato-4,5-dimethyl-pyrazole CAS Name: 1-[(2-chlorophenyl)methyl]-3-isothiocyanato-4,5-dimethylpyrazole IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-isothiocyanato-4,5-dimethylpyrazole Traditional Name: 1-(2-chlorobenzyl)-3-isothiocyanato-4,5-dimethyl-pyrazole Formula: C13H12ClN3S MolecularWeight: 277.77248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1N=C=S)CC2=CC=CC=C2Cl)C

Isomeric SMILES

CC1=C(N(N=C1N=C=S)CC2=CC=CC=C2Cl)C

InChI

InChI=1S/C13H12ClN3S/c1-9-10(2)17(16-13(9)15-8-18)7-11-5-3-4-6-12(11)14/h3-6H,7H2,1-2H3