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

Systemtic Name: 2-[2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Openeye Name: 2-[2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde CAS Name: 2-[2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde IUPAC Name: 2-[2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Traditional Name: 2-[2-[(5-butyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC)SCCOC2=CC=CC=C2C=O

Isomeric SMILES

CCCCC1=NN=C(N1CC)SCCOC2=CC=CC=C2C=O

InChI

InChI=1S/C17H23N3O2S/c1-3-5-10-16-18-19-17(20(16)4-2)23-12-11-22-15-9-7-6-8-14(15)13-21/h6-9,13H,3-5,10-12H2,1-2H3