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

Systemtic Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C16H14N4O4S MolecularWeight: 358.37176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-10-5-6-11(8-12(10)20(22)23)13(21)9-25-16-18-17-15(19(16)2)14-4-3-7-24-14/h3-8H,9H2,1-2H3