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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=NN2C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=NN2C(C)(C)C

InChI

InChI=1S/C15H20N6O3S/c1-10-5-6-11(21(23)24)9-12(10)16-13(22)7-8-25-14-17-18-19-20(14)15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,16,22)