1-(3-chloranyl-4-methoxy-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(3-chloro-4-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C16H11ClN2O4S2 MolecularWeight: 394.85254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O4S2/c1-23-14-5-2-9(6-11(14)17)13(20)8-24-16-18-12-4-3-10(19(21)22)7-15(12)25-16/h2-7H,8H2,1H3