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

Systemtic Name: 1-[4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]ethanone Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S/c1-13(25)14-9-10-18(16(12-14)24(26)27)29-20-22-21-19(17-8-5-11-28-17)23(20)15-6-3-2-4-7-15/h2-12H,1H3