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

Systemtic Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(2-furanyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O5S/c1-23-12-5-4-9(7-10(12)19(21)22)11(20)8-25-15-16-14(17-18-15)13-3-2-6-24-13/h2-7H,8H2,1H3,(H,16,17,18)