2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-methyl-3-nitrophenyl)ethanone IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-methyl-3-nitrophenyl)ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C16H11ClN2O3S2 MolecularWeight: 378.85314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN2O3S2/c1-9-2-3-10(6-13(9)19(21)22)14(20)8-23-16-18-12-7-11(17)4-5-15(12)24-16/h2-7H,8H2,1H3