4-nitro-2-[(2S)-5-(phenylmethyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenolate

Systemtic Name: 4-nitro-2-[(2S)-5-(phenylmethyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenolate Openeye Name: 2-[(2S)-5-benzyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]-4-nitro-phenolate CAS Name: 4-nitro-2-[(2S)-5-(phenylmethyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenolate IUPAC Name: 2-[(2S)-5-benzyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]-4-nitrophenolate Traditional Name: 2-[(2S)-5-benzyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]-4-nitro-phenolate Formula: C15H12N3O3S- MolecularWeight: 314.33908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NNC(S2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN[C@@H](S2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H13N3O3S/c19-13-7-6-11(18(20)21)9-12(13)15-17-16-14(22-15)8-10-4-2-1-3-5-10/h1-7,9,15,17,19H,8H2/p-1/t15-/m0/s1