(phenylmethyl) 2,2,2-tris(benzotriazol-1-yl)ethanedithioate

Systemtic Name: (phenylmethyl) 2,2,2-tris(benzotriazol-1-yl)ethanedithioate Openeye Name: benzyl 2,2,2-tris(benzotriazol-1-yl)ethanedithioate CAS Name: 2,2,2-tris(1-benzotriazolyl)ethanedithioic acid (phenylmethyl) ester IUPAC Name: benzyl 2,2,2-tris(benzotriazol-1-yl)ethanedithioate Traditional Name: 2,2,2-tris(benzotriazol-1-yl)ethanedithioic acid benzyl ester Formula: C27H19N9S2 MolecularWeight: 533.63006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)C(N2C3=CC=CC=C3N=N2)(N4C5=CC=CC=C5N=N4)N6C7=CC=CC=C7N=N6

Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)C(N2C3=CC=CC=C3N=N2)(N4C5=CC=CC=C5N=N4)N6C7=CC=CC=C7N=N6

InChI

InChI=1S/C27H19N9S2/c37-26(38-18-19-10-2-1-3-11-19)27(34-23-15-7-4-12-20(23)28-31-34,35-24-16-8-5-13-21(24)29-32-35)36-25-17-9-6-14-22(25)30-33-36/h1-17H,18H2