1-[(4-bromophenyl)methyl]-3-isothiocyanato-pyrazole

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-isothiocyanato-pyrazole Openeye Name: 1-[(4-bromophenyl)methyl]-3-isothiocyanato-pyrazole CAS Name: 1-[(4-bromophenyl)methyl]-3-isothiocyanatopyrazole IUPAC Name: 1-[(4-bromophenyl)methyl]-3-isothiocyanatopyrazole Traditional Name: 1-(4-bromobenzyl)-3-isothiocyanato-pyrazole Formula: C11H8BrN3S MolecularWeight: 294.17032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CC(=N2)N=C=S)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC(=N2)N=C=S)Br

InChI

InChI=1S/C11H8BrN3S/c12-10-3-1-9(2-4-10)7-15-6-5-11(14-15)13-8-16/h1-6H,7H2