2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]-5-nitro-benzonitrile Formula: C16H8N4O5S MolecularWeight: 368.32352

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H8N4O5S/c17-7-10-5-11(20(21)22)2-4-14(10)26-16-19-18-15(25-16)9-1-3-12-13(6-9)24-8-23-12/h1-6H,8H2