1-[(3S)-3-(5-nitro-2-oxidanyl-phenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]propan-1-one

Systemtic Name: 1-[(3S)-3-(5-nitro-2-oxidanyl-phenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]propan-1-one Openeye Name: 1-[(3S)-3-(2-hydroxy-5-nitro-phenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]propan-1-one CAS Name: 1-[(3S)-3-(2-hydroxy-5-nitrophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-1-propanone IUPAC Name: 1-[(3S)-3-(2-hydroxy-5-nitrophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]propan-1-one Traditional Name: 1-[(5S)-5-(2-hydroxy-5-nitro-phenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]propan-1-one Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C=C(N1)C2=CC=CS2)C3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCC(=O)N1[C@@H](C=C(N1)C2=CC=CS2)C3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H15N3O4S/c1-2-16(21)18-13(9-12(17-18)15-4-3-7-24-15)11-8-10(19(22)23)5-6-14(11)20/h3-9,13,17,20H,2H2,1H3/t13-/m0/s1