5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-tert-butylsulfanyl-pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-tert-butylsulfanyl-pyrazole-3-carbonitrile Openeye Name: 5-amino-4-tert-butylsulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile CAS Name: 5-amino-4-(tert-butylthio)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-pyrazolecarbonitrile IUPAC Name: 5-amino-4-tert-butylsulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile Traditional Name: 5-amino-4-(tert-butylthio)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile Formula: C15H13Cl2F3N4S MolecularWeight: 409.25673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

Isomeric SMILES

CC(C)(C)SC1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

InChI

InChI=1S/C15H13Cl2F3N4S/c1-14(2,3)25-12-10(6-21)23-24(13(12)22)11-8(16)4-7(5-9(11)17)15(18,19)20/h4-5H,22H2,1-3H3