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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25N5O3S/c1-14(2)17-6-4-5-7-18(17)24-20(28)13-31-22-25-19(26-27-22)12-23-21(29)15-8-10-16(30-3)11-9-15/h4-11,14H,12-13H2,1-3H3,(H,23,29)(H,24,28)(H,25,26,27)