4-[(4-methylphenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbothioamide

Systemtic Name: 4-[(4-methylphenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbothioamide Openeye Name: 4-(p-tolylazo)-3-(2-thienyl)-5-(trifluoromethyl)pyrazole-1-carbothioamide CAS Name: 4-(4-methylphenyl)azo-3-thiophen-2-yl-5-(trifluoromethyl)-1-pyrazolecarbothioamide IUPAC Name: 4-[(4-methylphenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbothioamide Traditional Name: 4-(p-tolylazo)-3-(2-thienyl)-5-(trifluoromethyl)pyrazole-1-carbothioamide Formula: C16H12F3N5S2 MolecularWeight: 395.42519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CS3)C(=S)N)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CS3)C(=S)N)C(F)(F)F

InChI

InChI=1S/C16H12F3N5S2/c1-9-4-6-10(7-5-9)21-22-13-12(11-3-2-8-26-11)23-24(15(20)25)14(13)16(17,18)19/h2-8H,1H3,(H2,20,25)