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

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Traditional Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S/c1-26-22(18-8-4-2-5-9-18)24-25-23(26)29-16-21(27)17-12-14-20(15-13-17)28-19-10-6-3-7-11-19/h2-15H,16H2,1H3