2-phenyl-N5-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide

Systemtic Name: 2-phenyl-N5-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide Openeye Name: 2-phenyl-N5-[2-(2-thienylmethylsulfanyl)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide CAS Name: 2-phenyl-N5-[2-(thiophen-2-ylmethylthio)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide IUPAC Name: 2-phenyl-5-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide Traditional Name: 1-phenyl-N-[2-(2-thenylthio)ethyl]-2-pyrazoline-3,5-dicarboxamide Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C(=O)NCCSCC2=CC=CS2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C(N(N=C1C(=O)NCCSCC2=CC=CS2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H20N4O2S2/c19-17(23)16-11-15(21-22(16)13-5-2-1-3-6-13)18(24)20-8-10-25-12-14-7-4-9-26-14/h1-7,9,16H,8,10-12H2,(H2,19,23)(H,20,24)