bis(benzotriazol-1-ylmethyl)-[3-(4-methoxyphenyl)sulfanylpropyl]azanium

Systemtic Name: bis(benzotriazol-1-ylmethyl)-[3-(4-methoxyphenyl)sulfanylpropyl]azanium Openeye Name: bis(benzotriazol-1-ylmethyl)-[3-(4-methoxyphenyl)sulfanylpropyl]ammonium CAS Name: bis(1-benzotriazolylmethyl)-[3-[(4-methoxyphenyl)thio]propyl]ammonium IUPAC Name: bis(benzotriazol-1-ylmethyl)-[3-(4-methoxyphenyl)sulfanylpropyl]azanium Traditional Name: bis(benzotriazol-1-ylmethyl)-[3-[(4-methoxyphenyl)thio]propyl]ammonium Formula: C24H26N7OS+ MolecularWeight: 460.57454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC[NH+](CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=C(C=C1)SCCC[NH+](CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H25N7OS/c1-32-19-11-13-20(14-12-19)33-16-6-15-29(17-30-23-9-4-2-7-21(23)25-27-30)18-31-24-10-5-3-8-22(24)26-28-31/h2-5,7-14H,6,15-18H2,1H3/p+1