5-chloranyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N-[2-(2-furylmethylsulfanyl)ethyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[2-(2-furanylmethylthio)ethyl]-3-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-[2-(2-furfurylthio)ethyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CO2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CO2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3O2S/c1-13-16(17(19)22(21-13)14-6-3-2-4-7-14)18(23)20-9-11-25-12-15-8-5-10-24-15/h2-8,10H,9,11-12H2,1H3,(H,20,23)