bis(benzotriazol-1-ylmethyl)-[2-(2-methylphenyl)sulfanylethyl]azanium

Systemtic Name: bis(benzotriazol-1-ylmethyl)-[2-(2-methylphenyl)sulfanylethyl]azanium Openeye Name: bis(benzotriazol-1-ylmethyl)-[2-(o-tolylsulfanyl)ethyl]ammonium CAS Name: bis(1-benzotriazolylmethyl)-[2-[(2-methylphenyl)thio]ethyl]ammonium IUPAC Name: bis(benzotriazol-1-ylmethyl)-[2-(2-methylphenyl)sulfanylethyl]azanium Traditional Name: bis(benzotriazol-1-ylmethyl)-[2-(o-tolylthio)ethyl]ammonium Formula: C23H24N7S+ MolecularWeight: 430.54856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC[NH+](CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=CC=C1SCC[NH+](CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H23N7S/c1-18-8-2-7-13-23(18)31-15-14-28(16-29-21-11-5-3-9-19(21)24-26-29)17-30-22-12-6-4-10-20(22)25-27-30/h2-13H,14-17H2,1H3/p+1