2-(2-ethoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(2-ethoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(2-ethoxyphenyl)-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(2-ethoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(2-ethoxyphenyl)-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]-5-o-phenetyl-1,3,4-oxadiazole Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NN=C(O2)SCC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NN=C(O2)SCC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4S/c1-3-24-16-10-5-4-8-14(16)17-19-20-18(25-17)26-11-13-7-6-9-15(12(13)2)21(22)23/h4-10H,3,11H2,1-2H3