3-isothiocyanato-1-[(4-methylphenyl)methyl]pyrazole

Systemtic Name: 3-isothiocyanato-1-[(4-methylphenyl)methyl]pyrazole Openeye Name: 3-isothiocyanato-1-(p-tolylmethyl)pyrazole CAS Name: 3-isothiocyanato-1-[(4-methylphenyl)methyl]pyrazole IUPAC Name: 3-isothiocyanato-1-[(4-methylphenyl)methyl]pyrazole Traditional Name: 3-isothiocyanato-1-(4-methylbenzyl)pyrazole Formula: C12H11N3S MolecularWeight: 229.30084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC(=N2)N=C=S

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC(=N2)N=C=S

InChI

InChI=1S/C12H11N3S/c1-10-2-4-11(5-3-10)8-15-7-6-12(14-15)13-9-16/h2-7H,8H2,1H3