2-methylsulfanyl-N-[(5-nitrofuran-2-yl)methyl]-1,3-benzothiazol-6-amine

Systemtic Name: 2-methylsulfanyl-N-[(5-nitrofuran-2-yl)methyl]-1,3-benzothiazol-6-amine Openeye Name: 2-methylsulfanyl-N-[(5-nitro-2-furyl)methyl]-1,3-benzothiazol-6-amine CAS Name: 2-(methylthio)-N-[(5-nitro-2-furanyl)methyl]-1,3-benzothiazol-6-amine IUPAC Name: 2-methylsulfanyl-N-[(5-nitrofuran-2-yl)methyl]-1,3-benzothiazol-6-amine Traditional Name: [2-(methylthio)-1,3-benzothiazol-6-yl]-[(5-nitro-2-furyl)methyl]amine Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NCC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NCC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O3S2/c1-20-13-15-10-4-2-8(6-11(10)21-13)14-7-9-3-5-12(19-9)16(17)18/h2-6,14H,7H2,1H3