N-[(E)-1-(1-benzothiophen-3-yl)ethylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(E)-1-(1-benzothiophen-3-yl)ethylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[(E)-1-(benzothiophen-3-yl)ethylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[(E)-1-(1-benzothiophen-3-yl)ethylideneamino]-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[(E)-1-(1-benzothiophen-3-yl)ethylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[(E)-1-(benzothiophen-3-yl)ethylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H15F3N4OS MolecularWeight: 428.43021

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(F)(F)F)C3=CSC4=CC=CC=C43

Isomeric SMILES

C/C(=N\NC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C(F)(F)F)/C3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H15F3N4OS/c1-13(17-12-30-18-10-6-5-9-15(17)18)26-27-20(29)16-11-25-28(19(16)21(22,23)24)14-7-3-2-4-8-14/h2-12H,1H3,(H,27,29)/b26-13+