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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S2/c1-3-12(2)13-4-6-14(7-5-13)17(22)11-25-19-20-16-9-8-15(21(23)24)10-18(16)26-19/h4-10,12H,3,11H2,1-2H3/t12-/m0/s1