3-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-benzothiophene 1,1-dioxide

Systemtic Name: 3-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-benzothiophene 1,1-dioxide Openeye Name: 3-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]benzothiophene 1,1-dioxide CAS Name: 3-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-benzothiophene 1,1-dioxide IUPAC Name: 3-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-benzothiophene 1,1-dioxide Traditional Name: 3-[[5-(4-nitrophenyl)-1H-1,2,4-triazol-3-yl]thio]benzothiophene 1,1-dioxide Formula: C16H10N4O4S2 MolecularWeight: 386.405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2(=O)=O)SC3=NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2(=O)=O)SC3=NNC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O4S2/c21-20(22)11-7-5-10(6-8-11)15-17-16(19-18-15)25-13-9-26(23,24)14-4-2-1-3-12(13)14/h1-9H,(H,17,18,19)