N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-3-ethylsulfonyl-benzamide

Systemtic Name: N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-3-ethylsulfonyl-benzamide Openeye Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide CAS Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide IUPAC Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide Traditional Name: N-(4,7-dichloro-3-propargyl-1,3-benzothiazol-2-ylidene)-3-esyl-benzamide Formula: C19H14Cl2N2O3S2 MolecularWeight: 453.36206

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)Cl)CC#C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)Cl)CC#C

InChI

InChI=1S/C19H14Cl2N2O3S2/c1-3-10-23-16-14(20)8-9-15(21)17(16)27-19(23)22-18(24)12-6-5-7-13(11-12)28(25,26)4-2/h1,5-9,11H,4,10H2,2H3