5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-but-3-yn-2-ylsulfanyl-pyrazole-3-carbonitrile

Systemtic Name: 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-but-3-yn-2-ylsulfanyl-pyrazole-3-carbonitrile Openeye Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(1-methylprop-2-ynylsulfanyl)pyrazole-3-carbonitrile CAS Name: 5-amino-4-(but-3-yn-2-ylthio)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-pyrazolecarbonitrile IUPAC Name: 5-amino-4-but-3-yn-2-ylsulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile Traditional Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(1-methylprop-2-ynylthio)pyrazole-3-carbonitrile Formula: C15H9Cl2F3N4S MolecularWeight: 405.22497

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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/C15H9Cl2F3N4S/c1-3-7(2)25-13-11(6-21)23-24(14(13)22)12-9(16)4-8(5-10(12)17)15(18,19)20/h1,4-5,7H,22H2,2H3