N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(1,2,4-triazol-4-ylamino)ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(1,2,4-triazol-4-ylamino)ethyl]cinchoninamide Formula: C15H14N6O3 MolecularWeight: 326.31006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C(=O)NC(CO)C(=O)NN3C=NN=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C(=O)N[C@@H](CO)C(=O)NN3C=NN=C3

InChI

InChI=1S/C15H14N6O3/c22-7-13(15(24)20-21-8-17-18-9-21)19-14(23)11-5-6-16-12-4-2-1-3-10(11)12/h1-6,8-9,13,22H,7H2,(H,19,23)(H,20,24)/t13-/m0/s1