5-(2-fluoranyl-4,5-dimethyl-phenyl)-4-methyl-2-prop-2-ynyl-pyrazole-3-carbothioamide

Systemtic Name: 5-(2-fluoranyl-4,5-dimethyl-phenyl)-4-methyl-2-prop-2-ynyl-pyrazole-3-carbothioamide Openeye Name: 5-(2-fluoro-4,5-dimethyl-phenyl)-4-methyl-2-prop-2-ynyl-pyrazole-3-carbothioamide CAS Name: 5-(2-fluoro-4,5-dimethylphenyl)-4-methyl-2-prop-2-ynyl-3-pyrazolecarbothioamide IUPAC Name: 5-(2-fluoro-4,5-dimethylphenyl)-4-methyl-2-prop-2-ynylpyrazole-3-carbothioamide Traditional Name: 5-(2-fluoro-4,5-dimethyl-phenyl)-4-methyl-2-propargyl-pyrazole-3-carbothioamide Formula: C16H16FN3S MolecularWeight: 301.381743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=NN(C(=C2C)C(=S)N)CC#C)F)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=NN(C(=C2C)C(=S)N)CC#C)F)C

InChI

InChI=1S/C16H16FN3S/c1-5-6-20-15(16(18)21)11(4)14(19-20)12-7-9(2)10(3)8-13(12)17/h1,7-8H,6H2,2-4H3,(H2,18,21)