5-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-2-but-3-yn-2-ylsulfanyl-pyrazol-3-amine

Systemtic Name: 5-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-2-but-3-yn-2-ylsulfanyl-pyrazol-3-amine Openeye Name: 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(1-methylprop-2-ynylsulfanyl)pyrazol-3-amine CAS Name: 2-(but-3-yn-2-ylthio)-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-pyrazolamine IUPAC Name: 2-but-3-yn-2-ylsulfanyl-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine Traditional Name: [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-(1-methylprop-2-ynylthio)pyrazol-3-yl]amine Formula: C14H10Cl2F3N3S MolecularWeight: 380.21551

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)SN1C(=CC(=N1)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

Isomeric SMILES

CC(C#C)SN1C(=CC(=N1)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N

InChI

InChI=1S/C14H10Cl2F3N3S/c1-3-7(2)23-22-12(20)6-11(21-22)13-9(15)4-8(5-10(13)16)14(17,18)19/h1,4-7H,20H2,2H3