bis(benzotriazol-1-ylmethyl)-(3-phenylsulfanylpropyl)azanium

Systemtic Name: bis(benzotriazol-1-ylmethyl)-(3-phenylsulfanylpropyl)azanium Openeye Name: bis(benzotriazol-1-ylmethyl)-(3-phenylsulfanylpropyl)ammonium CAS Name: bis(1-benzotriazolylmethyl)-[3-(phenylthio)propyl]ammonium IUPAC Name: bis(benzotriazol-1-ylmethyl)-(3-phenylsulfanylpropyl)azanium Traditional Name: bis(benzotriazol-1-ylmethyl)-[3-(phenylthio)propyl]ammonium Formula: C23H24N7S+ MolecularWeight: 430.54856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N7S/c1-2-9-19(10-3-1)31-16-8-15-28(17-29-22-13-6-4-11-20(22)24-26-29)18-30-23-14-7-5-12-21(23)25-27-30/h1-7,9-14H,8,15-18H2/p+1