N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(4-mesylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C18H12N4O6S2 MolecularWeight: 444.44108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O6S2/c1-30(26,27)13-5-2-10(3-6-13)17-20-21-18(28-17)19-16(23)15-9-11-8-12(22(24)25)4-7-14(11)29-15/h2-9H,1H3,(H,19,21,23)