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

Systemtic Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenoxyphenyl)ethanone CAS Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-phenoxyphenyl)ethanone IUPAC Name: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenoxyphenyl)ethanone Traditional Name: 2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenoxyphenyl)ethanone Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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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=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H17N3O2S2/c1-24-20(19-8-5-13-27-19)22-23-21(24)28-14-18(25)15-9-11-17(12-10-15)26-16-6-3-2-4-7-16/h2-13H,14H2,1H3