5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-[(4-chlorophenyl)thio]-1-methyl-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-[(4-chlorophenyl)thio]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C12H7ClF3N3S MolecularWeight: 317.71729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H7ClF3N3S/c1-19-11(20-8-4-2-7(13)3-5-8)9(6-17)10(18-19)12(14,15)16/h2-5H,1H3