1-(4-fluorophenyl)carbonyl-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: 1-(4-fluorophenyl)carbonyl-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 1-(4-fluorobenzoyl)-3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 1-(4-fluorobenzoyl)-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 1-(4-fluorobenzoyl)-3-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C25H21FN4O2S2 MolecularWeight: 492.588243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN4O2S2/c26-18-13-11-17(12-14-18)23(31)29-15-5-4-9-21(24(29)32)34-25-28-27-22(20-10-6-16-33-20)30(25)19-7-2-1-3-8-19/h1-3,6-8,10-14,16,21H,4-5,9,15H2