N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-3-chloro-benzothiophene-2-carboxamide Formula: C22H17ClFN5OS MolecularWeight: 453.919683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C22H17ClFN5OS/c23-19-15-4-1-2-6-18(15)31-20(19)22(30)27-11-3-5-17-16(12-25)21(26)29(28-17)14-9-7-13(24)8-10-14/h1-2,4,6-10H,3,5,11,26H2,(H,27,30)