N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide

Systemtic Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide Openeye Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide CAS Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonylbenzamide IUPAC Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonylbenzamide Traditional Name: N-(5,7-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-mesyl-benzamide Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CC#C)C

InChI

InChI=1S/C20H18N2O3S2/c1-5-10-22-16-12-13(2)11-14(3)18(16)26-20(22)21-19(23)15-8-6-7-9-17(15)27(4,24)25/h1,6-9,11-12H,10H2,2-4H3