3-nitro-4-[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]benzamide Openeye Name: 3-nitro-4-[[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzamide CAS Name: 3-nitro-4-[[[1-(2-oxolanylmethyl)-5-tetrazolyl]thio]methyl]benzamide IUPAC Name: 3-nitro-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzamide Traditional Name: 3-nitro-4-[[[1-(tetrahydrofurfuryl)tetrazol-5-yl]thio]methyl]benzamide Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O4S/c15-13(21)9-3-4-10(12(6-9)20(22)23)8-25-14-16-17-18-19(14)7-11-2-1-5-24-11/h3-4,6,11H,1-2,5,7-8H2,(H2,15,21)