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

Systemtic Name: 4-methoxy-N-[[3-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide Openeye Name: 4-methoxy-N-[[3-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide CAS Name: 4-methoxy-N-[[3-[[2-oxo-2-(1-phenylethylamino)ethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]benzamide IUPAC Name: 4-methoxy-N-[[3-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]methyl]benzamide Traditional Name: N-[[3-[[2-keto-2-(1-phenylethylamino)ethyl]thio]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxy-benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23N5O3S/c1-14(15-6-4-3-5-7-15)23-19(27)13-30-21-24-18(25-26-21)12-22-20(28)16-8-10-17(29-2)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,22,28)(H,23,27)(H,24,25,26)