2-bromanyl-6-tert-butyl-4-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3H-inden-1-one

Systemtic Name: 2-bromanyl-6-tert-butyl-4-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3H-inden-1-one Openeye Name: 2-bromo-6-tert-butyl-4-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-indan-1-one CAS Name: 2-bromo-6-tert-butyl-4-nitro-2-[(1-phenyl-5-tetrazolyl)thio]-3H-inden-1-one IUPAC Name: 2-bromo-6-tert-butyl-4-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-3H-inden-1-one Traditional Name: 2-bromo-6-tert-butyl-4-nitro-2-[(1-phenyltetrazol-5-yl)thio]indan-1-one Formula: C20H18BrN5O3S MolecularWeight: 488.35762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2CC(C(=O)C2=C1)(SC3=NN=NN3C4=CC=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C2CC(C(=O)C2=C1)(SC3=NN=NN3C4=CC=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrN5O3S/c1-19(2,3)12-9-14-15(16(10-12)26(28)29)11-20(21,17(14)27)30-18-22-23-24-25(18)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3