4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-3-nitro-benzamide Formula: C13H16N6O3S MolecularWeight: 336.36954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O3S/c1-13(2,3)18-12(15-16-17-18)23-7-9-5-4-8(11(14)20)6-10(9)19(21)22/h4-6H,7H2,1-3H3,(H2,14,20)