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

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C15H20N6O4S MolecularWeight: 380.4221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=NN2C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=NN2C(C)(C)C

InChI

InChI=1S/C15H20N6O4S/c1-9(26-14-17-18-19-20(14)15(2,3)4)13(22)16-11-8-10(21(23)24)6-7-12(11)25-5/h6-9H,1-5H3,(H,16,22)