1-[(3,4-diethoxyphenyl)methyl]-4-isothiocyanato-pyrazole

Systemtic Name: 1-[(3,4-diethoxyphenyl)methyl]-4-isothiocyanato-pyrazole Openeye Name: 1-[(3,4-diethoxyphenyl)methyl]-4-isothiocyanato-pyrazole CAS Name: 1-[(3,4-diethoxyphenyl)methyl]-4-isothiocyanatopyrazole IUPAC Name: 1-[(3,4-diethoxyphenyl)methyl]-4-isothiocyanatopyrazole Traditional Name: 1-(3,4-diethoxybenzyl)-4-isothiocyanato-pyrazole Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)N=C=S)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C=C(C=N2)N=C=S)OCC

InChI

InChI=1S/C15H17N3O2S/c1-3-19-14-6-5-12(7-15(14)20-4-2)9-18-10-13(8-17-18)16-11-21/h5-8,10H,3-4,9H2,1-2H3