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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C17H22N6O4S MolecularWeight: 406.45938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=NN2C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=NN2C3CCCCC3

InChI

InChI=1S/C17H22N6O4S/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/h8-12H,3-7H2,1-2H3,(H,18,24)