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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-nitro-benzamide Formula: C18H13N3O5S2 MolecularWeight: 415.44292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O5S2/c1-3-9-20-15-8-7-14(28(2,25)26)11-16(15)27-18(20)19-17(22)12-5-4-6-13(10-12)21(23)24/h1,4-8,10-11H,9H2,2H3