3-nitro-4-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]benzamide

Systemtic Name: 3-nitro-4-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]benzamide Openeye Name: 3-nitro-4-[[5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]benzamide CAS Name: 3-nitro-4-[[5-[(2R)-2-oxolanyl]-1H-1,2,4-triazol-3-yl]thio]benzamide IUPAC Name: 3-nitro-4-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]benzamide Traditional Name: 3-nitro-4-[[5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazol-3-yl]thio]benzamide Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C2=NC(=NN2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)C2=NC(=NN2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O4S/c14-11(19)7-3-4-10(8(6-7)18(20)21)23-13-15-12(16-17-13)9-2-1-5-22-9/h3-4,6,9H,1-2,5H2,(H2,14,19)(H,15,16,17)/t9-/m1/s1