2-fluoranyl-N-[1-[5-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 2-fluoranyl-N-[1-[5-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[4-allyl-5-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide CAS Name: 2-fluoro-N-[1-[5-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-fluoro-N-[1-[5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[1-[4-allyl-5-[(2-cumidino-2-keto-ethyl)thio]-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide Formula: C25H28FN5O2S MolecularWeight: 481.585523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H28FN5O2S/c1-5-14-31-23(17(4)27-24(33)20-8-6-7-9-21(20)26)29-30-25(31)34-15-22(32)28-19-12-10-18(11-13-19)16(2)3/h5-13,16-17H,1,14-15H2,2-4H3,(H,27,33)(H,28,32)