2-(3-methylbutylsulfinyl)-6-nitro-1,3-benzothiazole

Systemtic Name: 2-(3-methylbutylsulfinyl)-6-nitro-1,3-benzothiazole Openeye Name: 2-isopentylsulfinyl-6-nitro-1,3-benzothiazole CAS Name: 2-(3-methylbutylsulfinyl)-6-nitro-1,3-benzothiazole IUPAC Name: 2-(3-methylbutylsulfinyl)-6-nitro-1,3-benzothiazole Traditional Name: 2-isoamylsulfinyl-6-nitro-1,3-benzothiazole Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCS(=O)C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O3S2/c1-8(2)5-6-19(17)12-13-10-4-3-9(14(15)16)7-11(10)18-12/h3-4,7-8H,5-6H2,1-2H3