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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenoxybenzamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-phenoxy-benzamide Formula: C24H18N2O4S2 MolecularWeight: 462.54072

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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)OC4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C24H18N2O4S2/c1-3-14-26-21-13-12-20(32(2,28)29)16-22(21)31-24(26)25-23(27)17-8-7-11-19(15-17)30-18-9-5-4-6-10-18/h1,4-13,15-16H,14H2,2H3