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

Systemtic Name: N-[3-[5-(4-ethanoyl-2-nitro-phenyl)sulfanyl-1,2,3,4-tetrazol-1-yl]phenyl]ethanamide Openeye Name: N-[3-[5-(4-acetyl-2-nitro-phenyl)sulfanyltetrazol-1-yl]phenyl]acetamide CAS Name: N-[3-[5-[(4-acetyl-2-nitrophenyl)thio]-1-tetrazolyl]phenyl]acetamide IUPAC Name: N-[3-[5-(4-acetyl-2-nitrophenyl)sulfanyltetrazol-1-yl]phenyl]acetamide Traditional Name: N-[3-[5-[(4-acetyl-2-nitro-phenyl)thio]tetrazol-1-yl]phenyl]acetamide Formula: C17H14N6O4S MolecularWeight: 398.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N6O4S/c1-10(24)12-6-7-16(15(8-12)23(26)27)28-17-19-20-21-22(17)14-5-3-4-13(9-14)18-11(2)25/h3-9H,1-2H3,(H,18,25)