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

Systemtic Name: 2-[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Openeye Name: 2-[2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde CAS Name: 2-[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde IUPAC Name: 2-[2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Traditional Name: 2-[2-[(4-ethyl-5-isopropyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2C=O)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2C=O)C(C)C

InChI

InChI=1S/C16H21N3O2S/c1-4-19-15(12(2)3)17-18-16(19)22-10-9-21-14-8-6-5-7-13(14)11-20/h5-8,11-12H,4,9-10H2,1-3H3