4-isothiocyanato-5-methyl-2-phenyl-N-(phenylmethyl)pyrazol-3-amine

Systemtic Name: 4-isothiocyanato-5-methyl-2-phenyl-N-(phenylmethyl)pyrazol-3-amine Openeye Name: N-benzyl-4-isothiocyanato-5-methyl-2-phenyl-pyrazol-3-amine CAS Name: 4-isothiocyanato-5-methyl-2-phenyl-N-(phenylmethyl)-3-pyrazolamine IUPAC Name: N-benzyl-4-isothiocyanato-5-methyl-2-phenylpyrazol-3-amine Traditional Name: benzyl-(4-isothiocyanato-5-methyl-2-phenyl-pyrazol-3-yl)amine Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=C=S)NCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1N=C=S)NCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4S/c1-14-17(20-13-23)18(19-12-15-8-4-2-5-9-15)22(21-14)16-10-6-3-7-11-16/h2-11,19H,12H2,1H3