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

Systemtic Name: 4-isothiocyanato-1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazole Openeye Name: 4-isothiocyanato-1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazole CAS Name: 4-isothiocyanato-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazole IUPAC Name: 4-isothiocyanato-1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazole Traditional Name: 4-isothiocyanato-1-m-anisyl-3,5-dimethyl-pyrazole Formula: C14H15N3OS MolecularWeight: 273.3534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3OS/c1-10-14(15-9-19)11(2)17(16-10)8-12-5-4-6-13(7-12)18-3/h4-7H,8H2,1-3H3