1-tert-butyl-3-phenyl-pyrazole-4-carbothioamide

Systemtic Name: 1-tert-butyl-3-phenyl-pyrazole-4-carbothioamide Openeye Name: 1-tert-butyl-3-phenyl-pyrazole-4-carbothioamide CAS Name: 1-tert-butyl-3-phenyl-4-pyrazolecarbothioamide IUPAC Name: 1-tert-butyl-3-phenylpyrazole-4-carbothioamide Traditional Name: 1-tert-butyl-3-phenyl-pyrazole-4-carbothioamide Formula: C14H17N3S MolecularWeight: 259.36988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2)C(=S)N

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C14H17N3S/c1-14(2,3)17-9-11(13(15)18)12(16-17)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,18)