4-isothiocyanato-3,5-dimethyl-1-(phenylmethyl)pyrazole

Systemtic Name: 4-isothiocyanato-3,5-dimethyl-1-(phenylmethyl)pyrazole Openeye Name: 1-benzyl-4-isothiocyanato-3,5-dimethyl-pyrazole CAS Name: 4-isothiocyanato-3,5-dimethyl-1-(phenylmethyl)pyrazole IUPAC Name: 1-benzyl-4-isothiocyanato-3,5-dimethylpyrazole Traditional Name: 1-benzyl-4-isothiocyanato-3,5-dimethyl-pyrazole Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3S/c1-10-13(14-9-17)11(2)16(15-10)8-12-6-4-3-5-7-12/h3-7H,8H2,1-2H3