3-[3-[[2-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]amino]propoxy]benzaldehyde

Systemtic Name: 3-[3-[[2-methyl-5-(phenylsulfonylmethyl)-1,2,4-triazol-3-yl]amino]propoxy]benzaldehyde Openeye Name: 3-[3-[[5-(benzenesulfonylmethyl)-2-methyl-1,2,4-triazol-3-yl]amino]propoxy]benzaldehyde CAS Name: 3-[3-[[5-(benzenesulfonylmethyl)-2-methyl-1,2,4-triazol-3-yl]amino]propoxy]benzaldehyde IUPAC Name: 3-[3-[[5-(benzenesulfonylmethyl)-2-methyl-1,2,4-triazol-3-yl]amino]propoxy]benzaldehyde Traditional Name: 3-[3-[[5-(besylmethyl)-2-methyl-1,2,4-triazol-3-yl]amino]propoxy]benzaldehyde Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)CS(=O)(=O)C2=CC=CC=C2)NCCCOC3=CC=CC(=C3)C=O

Isomeric SMILES

CN1C(=NC(=N1)CS(=O)(=O)C2=CC=CC=C2)NCCCOC3=CC=CC(=C3)C=O

InChI

InChI=1S/C20H22N4O4S/c1-24-20(21-11-6-12-28-17-8-5-7-16(13-17)14-25)22-19(23-24)15-29(26,27)18-9-3-2-4-10-18/h2-5,7-10,13-14H,6,11-12,15H2,1H3,(H,21,22,23)