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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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