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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-phenylethanone IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-phenyl-ethanone Formula: C15H10N2O3S2 MolecularWeight: 330.3815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10N2O3S2/c18-13(10-4-2-1-3-5-10)9-21-15-16-12-7-6-11(17(19)20)8-14(12)22-15/h1-8H,9H2