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

Systemtic Name: 4-isothiocyanato-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazole Openeye Name: 4-isothiocyanato-3,5-dimethyl-1-(o-tolylmethyl)pyrazole CAS Name: 4-isothiocyanato-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazole IUPAC Name: 4-isothiocyanato-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazole Traditional Name: 4-isothiocyanato-3,5-dimethyl-1-(2-methylbenzyl)pyrazole Formula: C14H15N3S MolecularWeight: 257.354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)N=C=S)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)N=C=S)C

InChI

InChI=1S/C14H15N3S/c1-10-6-4-5-7-13(10)8-17-12(3)14(15-9-18)11(2)16-17/h4-7H,8H2,1-3H3