N-cycloheptyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cycloheptyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cycloheptyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cycloheptyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cycloheptyl-2-[[5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H29FN4OS MolecularWeight: 452.587363

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C25H29FN4OS/c26-22-15-9-8-14-21(22)24-28-29-25(30(24)17-16-19-10-4-3-5-11-19)32-18-23(31)27-20-12-6-1-2-7-13-20/h3-5,8-11,14-15,20H,1-2,6-7,12-13,16-18H2,(H,27,31)