bis(2-hydroxyethyl)-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Openeye Name: bis(2-hydroxyethyl)-[(6-nitro-2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium CAS Name: bis(2-hydroxyethyl)-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[(6-nitro-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]azanium Traditional Name: bis(2-hydroxyethyl)-[(6-nitro-2-thioxo-1,3-benzothiazol-3-yl)methyl]ammonium Formula: C12H16N3O4S2+ MolecularWeight: 330.40314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2C[NH+](CCO)CCO

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2C[NH+](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/p+1