N-[3-[(2R)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]-2-chloranyl-5-(1,2,3,4-tetrazol-1-yl)benzamide

Systemtic Name: N-[3-[(2R)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]-2-chloranyl-5-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: 2-chloro-N-[3-[(2R)-2,3-dihydroxypropyl]sulfanyl-5-nitro-phenyl]-5-(tetrazol-1-yl)benzamide CAS Name: 2-chloro-N-[3-[[(2R)-2,3-dihydroxypropyl]thio]-5-nitrophenyl]-5-(1-tetrazolyl)benzamide IUPAC Name: 2-chloro-N-[3-[(2R)-2,3-dihydroxypropyl]sulfanyl-5-nitrophenyl]-5-(tetrazol-1-yl)benzamide Traditional Name: 2-chloro-N-[3-[[(2R)-2,3-dihydroxypropyl]thio]-5-nitro-phenyl]-5-(tetrazol-1-yl)benzamide Formula: C17H15ClN6O5S MolecularWeight: 450.8562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C=NN=N2)C(=O)NC3=CC(=CC(=C3)SCC(CO)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C=NN=N2)C(=O)NC3=CC(=CC(=C3)SC[C@@H](CO)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H15ClN6O5S/c18-16-2-1-11(23-9-19-21-22-23)6-15(16)17(27)20-10-3-12(24(28)29)5-14(4-10)30-8-13(26)7-25/h1-6,9,13,25-26H,7-8H2,(H,20,27)/t13-/m1/s1