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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1C)SCCOC2=CC=C(C=C2)C=O

Isomeric SMILES

CC(C)(C)C1=NN=C(N1C)SCCOC2=CC=C(C=C2)C=O

InChI

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