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

Systemtic Name: 3-ethoxy-4-[2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzaldehyde Openeye Name: 4-[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]-3-ethoxy-benzaldehyde CAS Name: 3-ethoxy-4-[2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzaldehyde IUPAC Name: 4-[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]-3-ethoxybenzaldehyde Traditional Name: 4-[2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]ethoxy]-3-ethoxy-benzaldehyde Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCCSC2=NN=C(N2C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCCSC2=NN=C(N2C)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-3-26-19-13-17(15-25)9-10-18(19)27-11-12-28-21-23-22-20(24(21)2)14-16-7-5-4-6-8-16/h4-10,13,15H,3,11-12,14H2,1-2H3