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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O3S/c1-13(2,3)14-11(20)9-7-8(19(21)22)5-6-10(9)23-12-15-16-17-18(12)4/h5-7H,1-4H3,(H,14,20)