3-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(1,3-benzodioxol-5-yloxymethyl)-4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C19H18N4O5S MolecularWeight: 414.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18N4O5S/c1-2-22-18(10-26-15-7-8-16-17(9-15)28-12-27-16)20-21-19(22)29-11-13-3-5-14(6-4-13)23(24)25/h3-9H,2,10-12H2,1H3