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

Systemtic Name: 4-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde Openeye Name: 4-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde CAS Name: 4-[2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzaldehyde IUPAC Name: 4-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Traditional Name: 4-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C=O)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-2-23-19(14-16-6-4-3-5-7-16)21-22-20(23)26-13-12-25-18-10-8-17(15-24)9-11-18/h3-11,15H,2,12-14H2,1H3