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

Systemtic Name: 1-tert-butyl-3-(4-ethylphenyl)pyrazole-4-carbothioamide Openeye Name: 1-tert-butyl-3-(4-ethylphenyl)pyrazole-4-carbothioamide CAS Name: 1-tert-butyl-3-(4-ethylphenyl)-4-pyrazolecarbothioamide IUPAC Name: 1-tert-butyl-3-(4-ethylphenyl)pyrazole-4-carbothioamide Traditional Name: 1-tert-butyl-3-(4-ethylphenyl)pyrazole-4-carbothioamide Formula: C16H21N3S MolecularWeight: 287.42304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2C(=S)N)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2C(=S)N)C(C)(C)C

InChI

InChI=1S/C16H21N3S/c1-5-11-6-8-12(9-7-11)14-13(15(17)20)10-19(18-14)16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,20)