2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]ethanamide

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]ethanamide Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]acetamide CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-N-[(4-nitroanilino)-oxomethyl]acetamide IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-[(4-nitrophenyl)carbamoyl]acetamide Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-N-[(4-nitrophenyl)carbamoyl]acetamide Formula: C14H17N7O4S MolecularWeight: 379.39428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC(=O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC(=O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O4S/c1-14(2,3)20-13(17-18-19-20)26-8-11(22)16-12(23)15-9-4-6-10(7-5-9)21(24)25/h4-7H,8H2,1-3H3,(H2,15,16,22,23)