4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)-3-oxidanylidene-butanamide

Systemtic Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)-3-oxidanylidene-butanamide Openeye Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)-3-oxo-butanamide CAS Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-3-oxobutanamide IUPAC Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)-3-oxobutanamide Traditional Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3-keto-N-(2-methoxyphenyl)butyramide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2OC)COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2OC)COC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4S/c1-3-26-20(14-30-17-9-5-4-6-10-17)24-25-22(26)31-15-16(27)13-21(28)23-18-11-7-8-12-19(18)29-2/h4-12H,3,13-15H2,1-2H3,(H,23,28)