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1-(1-adamantyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

1-(1-adamantyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name:1-(1-adamantyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Openeye Name:1-(1-adamantyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
CAS Name:1-(1-adamantyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone
IUPAC Name:1-(1-adamantyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Traditional Name:1-(1-adamantyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone
Formula: C19H20N2O3S2
MolecularWeight: 388.5037
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]


InChI

InChI=1S/C19H20N2O3S2/c22-17(19-7-11-3-12(8-19)5-13(4-11)9-19)10-25-18-20-15-2-1-14(21(23)24)6-16(15)26-18/h1-2,6,11-13H,3-5,7-10H2


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