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

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-methyl-3-nitro-phenyl)propanamide Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-methyl-3-nitro-phenyl)propanamide CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-N-(4-methyl-3-nitrophenyl)propanamide IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(4-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-N-(4-methyl-3-nitro-phenyl)propionamide Formula: C15H20N6O3S MolecularWeight: 364.4227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=NN2C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=NN2C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O3S/c1-9-6-7-11(8-12(9)21(23)24)16-13(22)10(2)25-14-17-18-19-20(14)15(3,4)5/h6-8,10H,1-5H3,(H,16,22)