4-chloranyl-3-isothiocyanato-1-(phenylmethyl)pyrazole

Systemtic Name: 4-chloranyl-3-isothiocyanato-1-(phenylmethyl)pyrazole Openeye Name: 1-benzyl-4-chloro-3-isothiocyanato-pyrazole CAS Name: 4-chloro-3-isothiocyanato-1-(phenylmethyl)pyrazole IUPAC Name: 1-benzyl-4-chloro-3-isothiocyanatopyrazole Traditional Name: 1-benzyl-4-chloro-3-isothiocyanato-pyrazole Formula: C11H8ClN3S MolecularWeight: 249.71932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)N=C=S)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)N=C=S)Cl

InChI

InChI=1S/C11H8ClN3S/c12-10-7-15(14-11(10)13-8-16)6-9-4-2-1-3-5-9/h1-5,7H,6H2