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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: 1-isopropyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: 1-isopropyl-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

Isomeric SMILES

CC(C)N1C=CC(=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC#C

InChI

InChI=1S/C18H18N4O3S2/c1-5-9-21-15-7-6-13(27(4,24)25)11-16(15)26-18(21)19-17(23)14-8-10-22(20-14)12(2)3/h1,6-8,10-12H,9H2,2-4H3