N-(4-bromanyl-2-chloranyl-phenyl)-1-(3-cyanophenyl)-3-methyl-pyrazol-1-ium-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-1-(3-cyanophenyl)-3-methyl-pyrazol-1-ium-1-carboxamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-1-(3-cyanophenyl)-3-methyl-pyrazol-1-ium-1-carboxamide CAS Name: N-(4-bromo-2-chlorophenyl)-1-(3-cyanophenyl)-3-methyl-1-pyrazol-1-iumcarboxamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-1-(3-cyanophenyl)-3-methylpyrazol-1-ium-1-carboxamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-1-(3-cyanophenyl)-3-methyl-pyrazol-1-ium-1-carboxamide Formula: C18H13BrClN4O+ MolecularWeight: 416.67902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](C=C1)(C2=CC=CC(=C2)C#N)C(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=N[N+](C=C1)(C2=CC=CC(=C2)C#N)C(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H12BrClN4O/c1-12-7-8-24(23-12,15-4-2-3-13(9-15)11-21)18(25)22-17-6-5-14(19)10-16(17)20/h2-10H,1H3/p+1