1,5-dimethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide

Systemtic Name: 1,5-dimethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Openeye Name: 1,5-dimethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-1,5-dimethyl-pyrazole-3-carboxamide Formula: C17H16N4O3S2 MolecularWeight: 388.46394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

InChI

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