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

Systemtic Name: 3-ethoxy-4-[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde CAS Name: 3-ethoxy-4-[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Traditional Name: 3-ethoxy-4-[2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C)SCCOC2=C(C=C(C=C2)C=O)OCC

Isomeric SMILES

CCC1=NN=C(N1C)SCCOC2=C(C=C(C=C2)C=O)OCC

InChI

InChI=1S/C16H21N3O3S/c1-4-15-17-18-16(19(15)3)23-9-8-22-13-7-6-12(11-20)10-14(13)21-5-2/h6-7,10-11H,4-5,8-9H2,1-3H3