2-(1,3-benzodioxol-5-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[1-(3-nitrophenyl)ethylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[1-(3-nitrophenyl)ethylthio]-1,3,4-oxadiazole Formula: C17H13N3O5S MolecularWeight: 371.36722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(O2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13N3O5S/c1-10(11-3-2-4-13(7-11)20(21)22)26-17-19-18-16(25-17)12-5-6-14-15(8-12)24-9-23-14/h2-8,10H,9H2,1H3