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

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-prop-2-ynyl-1,2,4-triazol-3-yl]benzaldehyde Openeye Name: 3-[5-(4-methoxyphenyl)-1-prop-2-ynyl-1,2,4-triazol-3-yl]benzaldehyde CAS Name: 3-[5-(4-methoxyphenyl)-1-prop-2-ynyl-1,2,4-triazol-3-yl]benzaldehyde IUPAC Name: 3-[5-(4-methoxyphenyl)-1-prop-2-ynyl-1,2,4-triazol-3-yl]benzaldehyde Traditional Name: 3-[5-(4-methoxyphenyl)-1-propargyl-1,2,4-triazol-3-yl]benzaldehyde Formula: C19H15N3O2 MolecularWeight: 317.3413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2CC#C)C3=CC(=CC=C3)C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2CC#C)C3=CC(=CC=C3)C=O

InChI

InChI=1S/C19H15N3O2/c1-3-11-22-19(15-7-9-17(24-2)10-8-15)20-18(21-22)16-6-4-5-14(12-16)13-23/h1,4-10,12-13H,11H2,2H3