3-[[bis(2-hydroxyethyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione

Systemtic Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione Openeye Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione CAS Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione IUPAC Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione Traditional Name: 3-[[bis(2-hydroxyethyl)amino]methyl]-6-nitro-1,3-benzothiazole-2-thione Formula: C12H15N3O4S2 MolecularWeight: 329.3952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2CN(CCO)CCO

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2CN(CCO)CCO

InChI

InChI=1S/C12H15N3O4S2/c16-5-3-13(4-6-17)8-14-10-2-1-9(15(18)19)7-11(10)21-12(14)20/h1-2,7,16-17H,3-6,8H2