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

Systemtic Name: 5-chloranyl-3-methyl-1-phenyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-1-phenyl-N-[2-(2-thienylmethylsulfanyl)ethyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-phenyl-N-[2-(thiophen-2-ylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-phenyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-3-methyl-1-phenyl-N-[2-(2-thenylthio)ethyl]pyrazole-4-carboxamide Formula: C18H18ClN3OS2 MolecularWeight: 391.93802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CS2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCSCC2=CC=CS2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3OS2/c1-13-16(17(19)22(21-13)14-6-3-2-4-7-14)18(23)20-9-11-24-12-15-8-5-10-25-15/h2-8,10H,9,11-12H2,1H3,(H,20,23)