[1-tert-butyl-3-(4-fluorophenyl)pyrazol-4-yl]methanethiol

Systemtic Name: [1-tert-butyl-3-(4-fluorophenyl)pyrazol-4-yl]methanethiol Openeye Name: [1-tert-butyl-3-(4-fluorophenyl)pyrazol-4-yl]methanethiol CAS Name: [1-tert-butyl-3-(4-fluorophenyl)-4-pyrazolyl]methanethiol IUPAC Name: [1-tert-butyl-3-(4-fluorophenyl)pyrazol-4-yl]methanethiol Traditional Name: [1-tert-butyl-3-(4-fluorophenyl)pyrazol-4-yl]methanethiol Formula: C14H17FN2S MolecularWeight: 264.361583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)F)CS

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=C(C=C2)F)CS

InChI

InChI=1S/C14H17FN2S/c1-14(2,3)17-8-11(9-18)13(16-17)10-4-6-12(15)7-5-10/h4-8,18H,9H2,1-3H3