N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(p-tolylsulfonyl)acetamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetamide IUPAC Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetamide Traditional Name: N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-tosyl-acetamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C(=C3)C)C)CC#C

InChI

InChI=1S/C21H20N2O3S2/c1-5-10-23-18-11-15(3)16(4)12-19(18)27-21(23)22-20(24)13-28(25,26)17-8-6-14(2)7-9-17/h1,6-9,11-12H,10,13H2,2-4H3