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

Systemtic Name: 1-(4-nitrophenyl)-2-[[5-(2-oxidanylpropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(2-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[[5-(2-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[[5-(2-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[[5-(2-hydroxypropyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-nitrophenyl)ethanone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H18N4O4S/c1-13(24)11-18-20-21-19(22(18)15-5-3-2-4-6-15)28-12-17(25)14-7-9-16(10-8-14)23(26)27/h2-10,13,24H,11-12H2,1H3