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

Systemtic Name: 1-[2,4,6-trimethyl-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[2,4,6-trimethyl-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[2,4,6-trimethyl-3-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]phenyl]ethanone Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N2O3S2/c1-10-7-11(2)18(13(4)22)12(3)15(10)9-25-19-20-16-6-5-14(21(23)24)8-17(16)26-19/h5-8H,9H2,1-4H3