7-butyl-4-nitro-3H-1,3-benzothiazole-2-thione

Systemtic Name: 7-butyl-4-nitro-3H-1,3-benzothiazole-2-thione Openeye Name: 7-butyl-4-nitro-3H-1,3-benzothiazole-2-thione CAS Name: 7-butyl-4-nitro-3H-1,3-benzothiazole-2-thione IUPAC Name: 7-butyl-4-nitro-3H-1,3-benzothiazole-2-thione Traditional Name: 7-butyl-4-nitro-3H-1,3-benzothiazole-2-thione Formula: C11H12N2O2S2 MolecularWeight: 268.35518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=C(C=C1)[N+](=O)[O-])NC(=S)S2

Isomeric SMILES

CCCCC1=C2C(=C(C=C1)[N+](=O)[O-])NC(=S)S2

InChI

InChI=1S/C11H12N2O2S2/c1-2-3-4-7-5-6-8(13(14)15)9-10(7)17-11(16)12-9/h5-6H,2-4H2,1H3,(H,12,16)