5-isothiocyanato-3-methyl-1-phenyl-pyrazole

Systemtic Name: 5-isothiocyanato-3-methyl-1-phenyl-pyrazole Openeye Name: 5-isothiocyanato-3-methyl-1-phenyl-pyrazole CAS Name: 5-isothiocyanato-3-methyl-1-phenylpyrazole IUPAC Name: 5-isothiocyanato-3-methyl-1-phenylpyrazole Traditional Name: 5-isothiocyanato-3-methyl-1-phenyl-pyrazole Formula: C11H9N3S MolecularWeight: 215.27426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N=C=S)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1)N=C=S)C2=CC=CC=C2

InChI

InChI=1S/C11H9N3S/c1-9-7-11(12-8-15)14(13-9)10-5-3-2-4-6-10/h2-7H,1H3