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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]benzothiophene-2-carboxamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]benzothiophene-2-carboxamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC4=CC=CC=C4S3)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC(=O)C3=CC4=CC=CC=C4S3)C#N)N

InChI

InChI=1S/C22H19N5OS/c23-14-17-18(26-27(21(17)24)16-8-2-1-3-9-16)10-6-12-25-22(28)20-13-15-7-4-5-11-19(15)29-20/h1-5,7-9,11,13H,6,10,12,24H2,(H,25,28)