2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-amine

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-amine Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3-benzothiazol-6-amine CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-1,3-benzothiazol-6-amine IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine Traditional Name: [2-[(2-methoxy-5-nitro-benzyl)thio]-1,3-benzothiazol-6-yl]amine Formula: C15H13N3O3S2 MolecularWeight: 347.41202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC3=C(S2)C=C(C=C3)N

InChI

InChI=1S/C15H13N3O3S2/c1-21-13-5-3-11(18(19)20)6-9(13)8-22-15-17-12-4-2-10(16)7-14(12)23-15/h2-7H,8,16H2,1H3