N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2-thienylmethylsulfanyl)benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-2-(thiophen-2-ylmethylthio)benzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-(2-thenylthio)benzamide Formula: C25H22FN5OS2 MolecularWeight: 491.603483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)SCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=C(C=C3)F)SCC4=CC=CS4

InChI

InChI=1S/C25H22FN5OS2/c26-17-9-11-18(12-10-17)31-24(28)21(15-27)22(30-31)7-3-13-29-25(32)20-6-1-2-8-23(20)34-16-19-5-4-14-33-19/h1-2,4-6,8-12,14H,3,7,13,16,28H2,(H,29,32)