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

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

CCCCC1=NN=C(N1C)SCCOC2=CC=CC=C2C=O

Isomeric SMILES

CCCCC1=NN=C(N1C)SCCOC2=CC=CC=C2C=O

InChI

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