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

Systemtic Name: N-[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]-3-(1,2,3,4-tetrazol-1-yl)propanamide Openeye Name: N-[3-(2-hydroxyethylsulfanyl)-5-nitro-phenyl]-3-(tetrazol-1-yl)propanamide CAS Name: N-[3-(2-hydroxyethylthio)-5-nitrophenyl]-3-(1-tetrazolyl)propanamide IUPAC Name: N-[3-(2-hydroxyethylsulfanyl)-5-nitrophenyl]-3-(tetrazol-1-yl)propanamide Traditional Name: N-[3-(2-hydroxyethylthio)-5-nitro-phenyl]-3-(tetrazol-1-yl)propionamide Formula: C12H14N6O4S MolecularWeight: 338.34236

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])SCCO)NC(=O)CCN2C=NN=N2

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])SCCO)NC(=O)CCN2C=NN=N2

InChI

InChI=1S/C12H14N6O4S/c19-3-4-23-11-6-9(5-10(7-11)18(21)22)14-12(20)1-2-17-8-13-15-16-17/h5-8,19H,1-4H2,(H,14,20)