N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-1,4-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[4,7-bis(chloranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-1,4-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(4,7-dichloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethylpyrazole-3-carboxamide Traditional Name: N-(4,7-dichloro-3-propargyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide Formula: C16H12Cl2N4OS MolecularWeight: 379.26368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)Cl)CC#C)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N=C2N(C3=C(C=CC(=C3S2)Cl)Cl)CC#C)C

InChI

InChI=1S/C16H12Cl2N4OS/c1-4-7-22-13-10(17)5-6-11(18)14(13)24-16(22)19-15(23)12-9(2)8-21(3)20-12/h1,5-6,8H,7H2,2-3H3