4-methoxy-3-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde

Systemtic Name: 4-methoxy-3-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde Openeye Name: 3-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-benzaldehyde CAS Name: 4-methoxy-3-[[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]benzaldehyde IUPAC Name: 4-methoxy-3-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzaldehyde Traditional Name: 3-[[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-4-methoxy-benzaldehyde Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=C(C=CC(=C2)C=O)OC)N3CCOCC3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=C(C=CC(=C2)C=O)OC)N3CCOCC3

InChI

InChI=1S/C19H26N4O3S/c1-14(2)11-23-18(22-6-8-26-9-7-22)20-21-19(23)27-13-16-10-15(12-24)4-5-17(16)25-3/h4-5,10,12,14H,6-9,11,13H2,1-3H3