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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=CC(=C2C3=NC=NN3)C=O)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=CC(=C2C3=NC=NN3)C=O)CC#C

InChI

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