N-(4-fluorophenyl)-3-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: N-(4-fluorophenyl)-3-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propanamide CAS Name: 3-[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propanamide IUPAC Name: 3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propanamide Traditional Name: 3-[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(4-fluorophenyl)propionamide Formula: C20H20FN5O2S MolecularWeight: 413.468503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN5O2S/c1-26-17(11-12-18(27)22-16-9-7-14(21)8-10-16)24-25-20(26)29-13-19(28)23-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,22,27)(H,23,28)