3-[4-methyl-5-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[2-oxo-2-(4-phenoxyanilino)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[2-oxo-2-(4-phenoxyanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-keto-2-(4-phenoxyanilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C20H21N5O3S/c1-25-18(12-11-17(21)26)23-24-20(25)29-13-19(27)22-14-7-9-16(10-8-14)28-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H2,21,26)(H,22,27)