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

Systemtic Name: 2,2,2-tris(benzotriazol-1-yl)-N-phenyl-ethanethioamide Openeye Name: 2,2,2-tris(benzotriazol-1-yl)-N-phenyl-thioacetamide CAS Name: 2,2,2-tris(1-benzotriazolyl)-N-phenylethanethioamide IUPAC Name: 2,2,2-tris(benzotriazol-1-yl)-N-phenylethanethioamide Traditional Name: 2,2,2-tris(benzotriazol-1-yl)-N-phenyl-thioacetamide Formula: C26H18N10S MolecularWeight: 502.55312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N10S/c37-25(27-18-10-2-1-3-11-18)26(34-22-15-7-4-12-19(22)28-31-34,35-23-16-8-5-13-20(23)29-32-35)36-24-17-9-6-14-21(24)30-33-36/h1-17H,(H,27,37)