1-tert-butyl-3-(4-chlorophenyl)pyrazole-4-carbothioamide

Systemtic Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazole-4-carbothioamide Openeye Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazole-4-carbothioamide CAS Name: 1-tert-butyl-3-(4-chlorophenyl)-4-pyrazolecarbothioamide IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazole-4-carbothioamide Traditional Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazole-4-carbothioamide Formula: C14H16ClN3S MolecularWeight: 293.81494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3S/c1-14(2,3)18-8-11(13(16)19)12(17-18)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H2,16,19)