2-chloranyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide Openeye Name: 2-chloro-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide CAS Name: 2-chloro-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide Traditional Name: 2-chloro-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide Formula: C18H12ClN3O5S2 MolecularWeight: 449.88798

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)CC#C

InChI

InChI=1S/C18H12ClN3O5S2/c1-3-8-21-15-7-5-12(29(2,26)27)10-16(15)28-18(21)20-17(23)13-9-11(22(24)25)4-6-14(13)19/h1,4-7,9-10H,8H2,2H3