N-(3-chloranyl-4-cyano-phenyl)-3-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-3-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-3-[[5-(4-fluorophenyl)-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-chloro-4-cyanophenyl)-3-[[5-(4-fluorophenyl)-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-3-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-3-[[5-(4-fluorophenyl)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H21ClFN5O2S MolecularWeight: 485.961543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SCCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SCCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H21ClFN5O2S/c24-20-12-18(8-5-16(20)13-26)27-21(31)9-11-33-23-29-28-22(15-3-6-17(25)7-4-15)30(23)14-19-2-1-10-32-19/h3-8,12,19H,1-2,9-11,14H2,(H,27,31)