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

Systemtic Name: methyl 4-[(4-methoxyphenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate Openeye Name: methyl 4-(4-methoxyphenyl)azo-3-(2-thienyl)-5-(trifluoromethyl)pyrazole-1-carbodithioate CAS Name: 4-(4-methoxyphenyl)azo-3-thiophen-2-yl-5-(trifluoromethyl)-1-pyrazolecarbodithioic acid methyl ester IUPAC Name: methyl 4-[(4-methoxyphenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate Traditional Name: 4-(4-methoxyphenyl)azo-3-(2-thienyl)-5-(trifluoromethyl)pyrazole-1-carbodithioic acid methyl ester Formula: C17H13F3N4OS3 MolecularWeight: 442.50153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N4OS3/c1-25-11-7-5-10(6-8-11)21-22-14-13(12-4-3-9-28-12)23-24(16(26)27-2)15(14)17(18,19)20/h3-9H,1-2H3