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

Systemtic Name: 4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-N-phenyl-butanamide Openeye Name: 4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-3-oxo-N-phenylbutanamide IUPAC Name: 4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 3-keto-4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)COC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)CC(=O)NC2=CC=CC=C2)COC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-24-18(13-27-17-10-6-3-7-11-17)22-23-20(24)28-14-16(25)12-19(26)21-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3,(H,21,26)