N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: 1-isopropyl-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]pyrazole-3-carboxamide CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: 1-isopropyl-N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]pyrazole-3-carboxamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S2/c1-12(2)22-8-7-14(20-22)17(23)19-18-21(9-10-26-3)15-6-5-13(28(4,24)25)11-16(15)27-18/h5-8,11-12H,9-10H2,1-4H3