5-nitro-6-propyl-3-sulfanyl-2H-1,3-benzothiazole

Systemtic Name: 5-nitro-6-propyl-3-sulfanyl-2H-1,3-benzothiazole Openeye Name: 5-nitro-6-propyl-3-sulfanyl-2H-1,3-benzothiazole CAS Name: 3-mercapto-5-nitro-6-propyl-2H-1,3-benzothiazole IUPAC Name: 5-nitro-6-propyl-3-sulfanyl-2H-1,3-benzothiazole Traditional Name: 3-mercapto-5-nitro-6-propyl-2H-1,3-benzothiazole Formula: C10H12N2O2S2 MolecularWeight: 256.34448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1[N+](=O)[O-])N(CS2)S

Isomeric SMILES

CCCC1=CC2=C(C=C1[N+](=O)[O-])N(CS2)S

InChI

InChI=1S/C10H12N2O2S2/c1-2-3-7-4-10-9(11(15)6-16-10)5-8(7)12(13)14/h4-5,15H,2-3,6H2,1H3