N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-1-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C19H17FN4O3S MolecularWeight: 400.426683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H17FN4O3S/c20-17-7-2-1-4-14(17)13-28-11-9-21-19(25)18-8-10-23(22-18)15-5-3-6-16(12-15)24(26)27/h1-8,10,12H,9,11,13H2,(H,21,25)