N-[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]-4-(1,2,3,4-tetrazol-1-yl)benzamide

Systemtic Name: N-[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]-4-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]-4-(tetrazol-1-yl)benzamide CAS Name: N-[3-(2-hydroxyethylthio)-5-nitrophenyl]-4-(1-tetrazolyl)benzamide IUPAC Name: N-[3-(2-hydroxyethylsulfanyl)-5-nitrophenyl]-4-(tetrazol-1-yl)benzamide Traditional Name: N-[3-(2-hydroxyethylthio)-5-nitro-phenyl]-4-(tetrazol-1-yl)benzamide Formula: C16H14N6O4S MolecularWeight: 386.38516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)SCCO)[N+](=O)[O-])N3C=NN=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)SCCO)[N+](=O)[O-])N3C=NN=N3

InChI

InChI=1S/C16H14N6O4S/c23-5-6-27-15-8-12(7-14(9-15)22(25)26)18-16(24)11-1-3-13(4-2-11)21-10-17-19-20-21/h1-4,7-10,23H,5-6H2,(H,18,24)