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

Systemtic Name: 1-[4-methoxy-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]ethanone Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S2/c1-10(20)11-3-6-15(23-2)12(7-11)9-24-17-18-14-5-4-13(19(21)22)8-16(14)25-17/h3-8H,9H2,1-2H3