N-(4-isothiocyanato-5-methyl-2-phenyl-pyrazol-3-yl)benzamide

Systemtic Name: N-(4-isothiocyanato-5-methyl-2-phenyl-pyrazol-3-yl)benzamide Openeye Name: N-(4-isothiocyanato-5-methyl-2-phenyl-pyrazol-3-yl)benzamide CAS Name: N-(4-isothiocyanato-5-methyl-2-phenyl-3-pyrazolyl)benzamide IUPAC Name: N-(4-isothiocyanato-5-methyl-2-phenylpyrazol-3-yl)benzamide Traditional Name: N-(4-isothiocyanato-5-methyl-2-phenyl-pyrazol-3-yl)benzamide Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=C=S)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1N=C=S)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4OS/c1-13-16(19-12-24)17(20-18(23)14-8-4-2-5-9-14)22(21-13)15-10-6-3-7-11-15/h2-11H,1H3,(H,20,23)