5-nitro-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide Openeye Name: N-[5-(3-isopropylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-thiophene-2-carboxamide CAS Name: 5-nitro-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-nitro-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide Traditional Name: N-[5-(3-isopropylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-thiophene-2-carboxamide Formula: C16H14N4O6S2 MolecularWeight: 422.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6S2/c1-9(2)28(24,25)11-5-3-4-10(8-11)15-18-19-16(26-15)17-14(21)12-6-7-13(27-12)20(22)23/h3-9H,1-2H3,(H,17,19,21)