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

Systemtic Name: 6-tert-butyl-4-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2,3-dihydroinden-1-one Openeye Name: 6-tert-butyl-4-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-indan-1-one CAS Name: 6-tert-butyl-4-nitro-2-[(1-phenyl-5-tetrazolyl)thio]-2,3-dihydroinden-1-one IUPAC Name: 6-tert-butyl-4-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-2,3-dihydroinden-1-one Traditional Name: 6-tert-butyl-4-nitro-2-[(1-phenyltetrazol-5-yl)thio]indan-1-one Formula: C20H19N5O3S MolecularWeight: 409.46156

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c1-20(2,3)12-9-15-14(16(10-12)25(27)28)11-17(18(15)26)29-19-21-22-23-24(19)13-7-5-4-6-8-13/h4-10,17H,11H2,1-3H3