3-[5-(4-methoxyphenyl)-2-(2-oxidanylidenepropyl)-1,2,4-triazol-3-yl]benzaldehyde

Systemtic Name: 3-[5-(4-methoxyphenyl)-2-(2-oxidanylidenepropyl)-1,2,4-triazol-3-yl]benzaldehyde Openeye Name: 3-[2-acetonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde CAS Name: 3-[5-(4-methoxyphenyl)-2-(2-oxopropyl)-1,2,4-triazol-3-yl]benzaldehyde IUPAC Name: 3-[5-(4-methoxyphenyl)-2-(2-oxopropyl)-1,2,4-triazol-3-yl]benzaldehyde Traditional Name: 3-[2-acetonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzaldehyde Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC(=N1)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)C=O

Isomeric SMILES

CC(=O)CN1C(=NC(=N1)C2=CC=C(C=C2)OC)C3=CC(=CC=C3)C=O

InChI

InChI=1S/C19H17N3O3/c1-13(24)11-22-19(16-5-3-4-14(10-16)12-23)20-18(21-22)15-6-8-17(25-2)9-7-15/h3-10,12H,11H2,1-2H3