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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)SC3=C(C=C(C=C3C(=O)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)SC3=C(C=C(C=C3C(=O)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN2O3S2/c1-8-3-4-14-13(5-8)18-16(23-14)24-15-11(9(2)20)6-10(19(21)22)7-12(15)17/h3-7H,1-2H3