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

Systemtic Name: 4-isothiocyanato-3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazole Openeye Name: 4-isothiocyanato-3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazole CAS Name: 4-isothiocyanato-3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazole IUPAC Name: 4-isothiocyanato-3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazole Traditional Name: 4-isothiocyanato-3,5-dimethyl-1-(3-phenoxybenzyl)pyrazole Formula: C19H17N3OS MolecularWeight: 335.42278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)N=C=S

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)N=C=S

InChI

InChI=1S/C19H17N3OS/c1-14-19(20-13-24)15(2)22(21-14)12-16-7-6-10-18(11-16)23-17-8-4-3-5-9-17/h3-11H,12H2,1-2H3