2-ethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide CAS Name: 2-ethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Traditional Name: 2-ethyl-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

Isomeric SMILES

CCN1C(=CC=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

InChI

InChI=1S/C17H16N4O3S2/c1-4-10-20-13-7-6-12(26(3,23)24)11-15(13)25-17(20)19-16(22)14-8-9-18-21(14)5-2/h1,6-9,11H,5,10H2,2-3H3