[3-(4-bromophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-thiadiazol-2-yl]-tributyl-phosphanium

Systemtic Name: [3-(4-bromophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-thiadiazol-2-yl]-tributyl-phosphanium Openeye Name: [3-(4-bromophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-thiadiazol-2-yl]-tributyl-phosphonium CAS Name: [3-(4-bromophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-thiadiazol-2-yl]-tributylphosphonium IUPAC Name: [3-(4-bromophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-thiadiazol-2-yl]-tributylphosphanium Traditional Name: [3-(4-bromophenyl)-5-(4-methoxyphenyl)-2H-1,3,4-thiadiazol-2-yl]-tributyl-phosphonium Formula: C27H39BrN2OPS+ MolecularWeight: 550.554121

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)C1N(N=C(S1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)C1N(N=C(S1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C27H39BrN2OPS/c1-5-8-19-32(20-9-6-2,21-10-7-3)27-30(24-15-13-23(28)14-16-24)29-26(33-27)22-11-17-25(31-4)18-12-22/h11-18,27H,5-10,19-21H2,1-4H3/q+1