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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]propionamide Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H16N6O4S/c1-11(28-17-19-20-21-22(17)12-6-4-3-5-7-12)16(24)18-14-10-13(23(25)26)8-9-15(14)27-2/h3-11H,1-2H3,(H,18,24)