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

Systemtic Name: 3-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-[(1-cyclopentyl-5-tetrazolyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-[(1-cyclopentyltetrazol-5-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C16H20N6O4S MolecularWeight: 392.4328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=NN2C3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=NN2C3CCCC3

InChI

InChI=1S/C16H20N6O4S/c1-26-14-7-6-12(22(24)25)10-13(14)17-15(23)8-9-27-16-18-19-20-21(16)11-4-2-3-5-11/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,23)