2-(1-methylpyrazol-4-yl)-N-[3-(phenylmethyl)sulfonylpropyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(1-methylpyrazol-4-yl)-N-[3-(phenylmethyl)sulfonylpropyl]-1,3-thiazole-4-carboxamide Openeye Name: N-(3-benzylsulfonylpropyl)-2-(1-methylpyrazol-4-yl)thiazole-4-carboxamide CAS Name: 2-(1-methyl-4-pyrazolyl)-N-[3-(phenylmethyl)sulfonylpropyl]-4-thiazolecarboxamide IUPAC Name: N-(3-benzylsulfonylpropyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide Traditional Name: N-(3-benzylsulfonylpropyl)-2-(1-methylpyrazol-4-yl)thiazole-4-carboxamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=CS2)C(=O)NCCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=CS2)C(=O)NCCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3S2/c1-22-11-15(10-20-22)18-21-16(12-26-18)17(23)19-8-5-9-27(24,25)13-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,19,23)