N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-(4-mesylphenyl)-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H15N3O5S2/c1-19-14-8-5-12(20(22)23)10-15(14)26-17(19)18-16(21)9-11-3-6-13(7-4-11)27(2,24)25/h3-8,10H,9H2,1-2H3