4-methoxy-N-[[4-methyl-5-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-methoxy-N-[[4-methyl-5-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-methoxy-N-[[4-methyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-methoxy-N-[[4-methyl-5-[[2-oxo-2-(phenethylamino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[[4-methyl-5-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[2-keto-2-(phenethylamino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N5O3S/c1-27-19(14-24-21(29)17-8-10-18(30-2)11-9-17)25-26-22(27)31-15-20(28)23-13-12-16-6-4-3-5-7-16/h3-11H,12-15H2,1-2H3,(H,23,28)(H,24,29)