3-bromanyl-3-methyl-1H-indole-2-thione; nitrobenzene

Systemtic Name: 3-bromanyl-3-methyl-1H-indole-2-thione; nitrobenzene Openeye Name: 3-bromo-3-methyl-indoline-2-thione; nitrobenzene CAS Name: 3-bromo-3-methyl-1H-indole-2-thione; nitrobenzene IUPAC Name: 3-bromo-3-methyl-1H-indole-2-thione; nitrobenzene Traditional Name: 3-bromo-3-methyl-indoline-2-thione; nitrobenzene Formula: C15H13BrN2O2S MolecularWeight: 365.24492

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2NC1=S)Br.C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC1(C2=CC=CC=C2NC1=S)Br.C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H8BrNS.C6H5NO2/c1-9(10)6-4-2-3-5-7(6)11-8(9)12;8-7(9)6-4-2-1-3-5-6/h2-5H,1H3,(H,11,12);1-5H