(2R)-1-(4-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(4-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(4-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one CAS Name: (2R)-1-(4-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-propanone IUPAC Name: (2R)-1-(4-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(4-chlorophenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propan-1-one Formula: C16H11ClN2O3S2 MolecularWeight: 378.85314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Cl)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)Cl)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O3S2/c1-9(15(20)10-2-4-11(17)5-3-10)23-16-18-13-7-6-12(19(21)22)8-14(13)24-16/h2-9H,1H3/t9-/m1/s1