3-[3-[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-[(2-fluorobenzyl)amino]-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C18H18FN5O2S2 MolecularWeight: 419.496223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)F

InChI

InChI=1S/C18H18FN5O2S2/c19-13-5-2-1-4-12(13)10-21-16(26)11-28-18-23-22-17(14-6-3-9-27-14)24(18)8-7-15(20)25/h1-6,9H,7-8,10-11H2,(H2,20,25)(H,21,26)