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

Systemtic Name: 3-ethoxy-4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Openeye Name: 3-ethoxy-4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde CAS Name: 3-ethoxy-4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzaldehyde Traditional Name: 3-ethoxy-4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethoxy]benzaldehyde Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCCSC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCCSC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-3-25-18-13-15(14-24)9-10-17(18)26-11-12-27-20-22-21-19(23(20)2)16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3