N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-1,5-dimethyl-pyrazole-3-carboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC#C

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CC#C

InChI

InChI=1S/C18H18N4O3S/c1-6-9-22-15-13(24-4)7-8-14(25-5)16(15)26-18(22)19-17(23)12-10-11(2)21(3)20-12/h1,7-8,10H,9H2,2-5H3