[3-[bis[(4-chlorophenyl)carbonyl]amino]-5-phenyl-1,2,3-triazol-4-yl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [3-[bis[(4-chlorophenyl)carbonyl]amino]-5-phenyl-1,2,3-triazol-4-yl]methyl-triphenyl-phosphanium bromide Openeye Name: [3-[bis(4-chlorobenzoyl)amino]-5-phenyl-triazol-4-yl]methyl-triphenyl-phosphonium bromide CAS Name: [3-[bis[(4-chlorophenyl)-oxomethyl]amino]-5-phenyl-4-triazolyl]methyl-triphenylphosphonium bromide IUPAC Name: [3-[bis(4-chlorobenzoyl)amino]-5-phenyltriazol-4-yl]methyl-triphenylphosphanium bromide Traditional Name: [3-[bis(4-chlorobenzoyl)amino]-5-phenyl-triazol-4-yl]methyl-triphenyl-phosphonium bromide Formula: C41H30BrCl2N4O2P MolecularWeight: 792.486261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=N2)N(C(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=N2)N(C(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

InChI

InChI=1S/C41H30Cl2N4O2P.BrH/c42-33-25-21-31(22-26-33)40(48)46(41(49)32-23-27-34(43)28-24-32)47-38(39(44-45-47)30-13-5-1-6-14-30)29-50(35-15-7-2-8-16-35,36-17-9-3-10-18-36)37-19-11-4-12-20-37;/h1-28H,29H2;1H/q+1;/p-1