1-tert-butyl-5-nitro-indole-2-thiol

Systemtic Name: 1-tert-butyl-5-nitro-indole-2-thiol Openeye Name: 1-tert-butyl-5-nitro-indole-2-thiol CAS Name: 1-tert-butyl-5-nitro-2-indolethiol IUPAC Name: 1-tert-butyl-5-nitroindole-2-thiol Traditional Name: 1-tert-butyl-5-nitro-indole-2-thiol Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1S

Isomeric SMILES

CC(C)(C)N1C2=C(C=C(C=C2)[N+](=O)[O-])C=C1S

InChI

InChI=1S/C12H14N2O2S/c1-12(2,3)13-10-5-4-9(14(15)16)6-8(10)7-11(13)17/h4-7,17H,1-3H3