2-fluoranyl-N-[1-[4-methyl-5-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[1-[4-methyl-5-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[5-(2-anilino-1-methyl-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide CAS Name: N-[1-[5-[(1-anilino-1-oxopropan-2-yl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide IUPAC Name: N-[1-[5-(1-anilino-1-oxopropan-2-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide Traditional Name: N-[1-[5-[(2-anilino-2-keto-1-methyl-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SC(C)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C1=NN=C(N1C)SC(C)C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN5O2S/c1-13(23-20(29)16-11-7-8-12-17(16)22)18-25-26-21(27(18)3)30-14(2)19(28)24-15-9-5-4-6-10-15/h4-14H,1-3H3,(H,23,29)(H,24,28)