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

Systemtic Name: 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3S/c1-11(15(23)17-12-7-9-14(10-8-12)22(24)25)26-16-18-19-20-21(16)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,23)