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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=C(C=CC=C2OC)C=O)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=C(C=CC=C2OC)C=O)CC3=CC=CC=C3

InChI

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