[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl]-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl]-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(2-bromoanilino)-2-keto-ethyl]-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium Formula: C22H20BrN4OS+ MolecularWeight: 468.3894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C[NH2+]CC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C[NH2+]CC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C22H19BrN4OS/c23-18-9-4-5-10-19(18)25-21(28)14-24-13-16-15-27(17-7-2-1-3-8-17)26-22(16)20-11-6-12-29-20/h1-12,15,24H,13-14H2,(H,25,28)/p+1