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

Systemtic Name: N-[3-[5-azanyl-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(phenylsulfanylmethyl)benzamide Openeye Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(phenylsulfanylmethyl)benzamide CAS Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)-3-pyrazolyl]propyl]-4-[(phenylthio)methyl]benzamide IUPAC Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-(phenylsulfanylmethyl)benzamide Traditional Name: N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-[(phenylthio)methyl]benzamide Formula: C27H24FN5OS MolecularWeight: 485.575763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCCCC3=NN(C(=C3C#N)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H24FN5OS/c28-21-12-14-22(15-13-21)33-26(30)24(17-29)25(32-33)7-4-16-31-27(34)20-10-8-19(9-11-20)18-35-23-5-2-1-3-6-23/h1-3,5-6,8-15H,4,7,16,18,30H2,(H,31,34)