2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone Formula: C28H21N3O2S MolecularWeight: 463.55024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H21N3O2S/c32-26(21-16-18-25(19-17-21)33-24-14-8-3-9-15-24)20-34-28-30-29-27(22-10-4-1-5-11-22)31(28)23-12-6-2-7-13-23/h1-19H,20H2