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

Systemtic Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=N2)C3=CC=CO3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CSC2=NNC(=N2)C3=CC=CO3

InChI

InChI=1S/C14H10N4O4S/c19-11(9-3-1-4-10(7-9)18(20)21)8-23-14-15-13(16-17-14)12-5-2-6-22-12/h1-7H,8H2,(H,15,16,17)