N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(1,2,4-triazol-4-ylamino)ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(1,2,4-triazol-4-ylamino)ethyl]-3H-benzimidazole-5-carboxamide Formula: C13H13N7O3 MolecularWeight: 315.28742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CO)C(=O)NN3C=NN=C3)NC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)N[C@@H](CO)C(=O)NN3C=NN=C3)NC=N2

InChI

InChI=1S/C13H13N7O3/c21-4-11(13(23)19-20-6-16-17-7-20)18-12(22)8-1-2-9-10(3-8)15-5-14-9/h1-3,5-7,11,21H,4H2,(H,14,15)(H,18,22)(H,19,23)/t11-/m0/s1