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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-isothiocyanato-5-methyl-pyrazole Openeye Name: 1-[(4-chlorophenyl)methyl]-3-isothiocyanato-5-methyl-pyrazole CAS Name: 1-[(4-chlorophenyl)methyl]-3-isothiocyanato-5-methylpyrazole IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-isothiocyanato-5-methylpyrazole Traditional Name: 1-(4-chlorobenzyl)-3-isothiocyanato-5-methyl-pyrazole Formula: C12H10ClN3S MolecularWeight: 263.7459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)N=C=S

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)N=C=S

InChI

InChI=1S/C12H10ClN3S/c1-9-6-12(14-8-17)15-16(9)7-10-2-4-11(13)5-3-10/h2-6H,7H2,1H3