4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde

Systemtic Name: 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Openeye Name: 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde CAS Name: 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde IUPAC Name: 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Traditional Name: 4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=C(C=C2)C=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=C(C=C2)C=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-21-17(15-5-3-2-4-6-15)19-20-18(21)24-12-11-23-16-9-7-14(13-22)8-10-16/h2-10,13H,11-12H2,1H3