5-azanyl-1-[2,5-bis(fluoranyl)phenyl]-3-(2-chloranyl-4-methyl-phenyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[2,5-bis(fluoranyl)phenyl]-3-(2-chloranyl-4-methyl-phenyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-(2-chloro-4-methyl-phenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-(2-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-(2-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(2-chloro-4-methyl-phenyl)-1-(2,5-difluorophenyl)pyrazole-4-carbonitrile Formula: C17H11ClF2N4 MolecularWeight: 344.745846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C(=C2C#N)N)C3=C(C=CC(=C3)F)F)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C(=C2C#N)N)C3=C(C=CC(=C3)F)F)Cl

InChI

InChI=1S/C17H11ClF2N4/c1-9-2-4-11(13(18)6-9)16-12(8-21)17(22)24(23-16)15-7-10(19)3-5-14(15)20/h2-7H,22H2,1H3