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

Systemtic Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-2-25-19(14-28-18-11-7-4-8-12-18)23-24-21(25)29-15-17(26)13-20(27)22-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,22,27)