N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromanyl-thiophene-3-carboxamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromanyl-thiophene-3-carboxamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromo-thiophene-3-carboxamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-5-bromo-3-thiophenecarboxamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromothiophene-3-carboxamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-5-bromo-thiophene-3-carboxamide Formula: C18H15BrFN5OS MolecularWeight: 448.312003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)C3=CSC(=C3)Br)C#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=C(C(=N2)CCCNC(=O)C3=CSC(=C3)Br)C#N)N)F

InChI

InChI=1S/C18H15BrFN5OS/c19-16-8-11(10-27-16)18(26)23-7-1-2-15-14(9-21)17(22)25(24-15)13-5-3-12(20)4-6-13/h3-6,8,10H,1-2,7,22H2,(H,23,26)