3-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(4-fluorophenyl)amino]propanamide

Systemtic Name: 3-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(4-fluorophenyl)amino]propanamide Openeye Name: 3-(N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-fluoro-anilino)propanamide CAS Name: 3-(N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-fluoroanilino)propanamide IUPAC Name: 3-(N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-4-fluoroanilino)propanamide Traditional Name: 3-(N-[2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-4-fluoro-anilino)propionamide Formula: C17H22FN5O2S MolecularWeight: 379.452283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H22FN5O2S/c1-17(2,3)15-20-16(22-21-15)26-10-14(25)23(9-8-13(19)24)12-6-4-11(18)5-7-12/h4-7H,8-10H2,1-3H3,(H2,19,24)(H,20,21,22)