2,2,2-tris(benzotriazol-1-yl)-N-(phenylmethyl)ethanethioamide

Systemtic Name: 2,2,2-tris(benzotriazol-1-yl)-N-(phenylmethyl)ethanethioamide Openeye Name: 2,2,2-tris(benzotriazol-1-yl)-N-benzyl-thioacetamide CAS Name: 2,2,2-tris(1-benzotriazolyl)-N-(phenylmethyl)ethanethioamide IUPAC Name: 2,2,2-tris(benzotriazol-1-yl)-N-benzylethanethioamide Traditional Name: 2,2,2-tris(benzotriazol-1-yl)-N-benzyl-thioacetamide Formula: C27H20N10S MolecularWeight: 516.5797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20N10S/c38-26(28-18-19-10-2-1-3-11-19)27(35-23-15-7-4-12-20(23)29-32-35,36-24-16-8-5-13-21(24)30-33-36)37-25-17-9-6-14-22(25)31-34-37/h1-17H,18H2,(H,28,38)