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

Systemtic Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-5-nitrobenzonitrile IUPAC Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thio]-5-nitro-benzonitrile Formula: C12H8N4O3S MolecularWeight: 288.28192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC1C2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H8N4O3S/c13-6-8-5-9(16(17)18)3-4-10(8)20-12-15-14-11(19-12)7-1-2-7/h3-5,7H,1-2H2