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

Systemtic Name: 4-[(4-methoxyphenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)azo-3-(2-thienyl)-5-(trifluoromethyl)pyrazole-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)azo-3-thiophen-2-yl-5-(trifluoromethyl)-1-pyrazolecarbothioamide IUPAC Name: 4-[(4-methoxyphenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)azo-3-(2-thienyl)-5-(trifluoromethyl)pyrazole-1-carbothioamide Formula: C16H12F3N5OS2 MolecularWeight: 411.42459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CS3)C(=S)N)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CS3)C(=S)N)C(F)(F)F

InChI

InChI=1S/C16H12F3N5OS2/c1-25-10-6-4-9(5-7-10)21-22-13-12(11-3-2-8-27-11)23-24(15(20)26)14(13)16(17,18)19/h2-8H,1H3,(H2,20,26)