N-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide

Systemtic Name: N-[(5-chloranyl-1-benzothiophen-3-yl)methyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Openeye Name: N-[(5-chlorobenzothiophen-3-yl)methyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide CAS Name: N-[(5-chloro-1-benzothiophen-3-yl)methyl]-1-phenyl-5-propyl-4-pyrazolecarboxamide IUPAC Name: N-[(5-chloro-1-benzothiophen-3-yl)methyl]-1-phenyl-5-propylpyrazole-4-carboxamide Traditional Name: N-[(5-chlorobenzothiophen-3-yl)methyl]-1-phenyl-5-propyl-pyrazole-4-carboxamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NCC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-2-6-20-19(13-25-26(20)17-7-4-3-5-8-17)22(27)24-12-15-14-28-21-10-9-16(23)11-18(15)21/h3-5,7-11,13-14H,2,6,12H2,1H3,(H,24,27)