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

Systemtic Name: 4-fluoranyl-N-[[5-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: 4-fluoro-N-[[5-[[2-(2-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-fluoro-N-[[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(o-toluidino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C22H22FN5O2S MolecularWeight: 439.505783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN5O2S/c1-3-12-28-19(13-24-21(30)16-8-10-17(23)11-9-16)26-27-22(28)31-14-20(29)25-18-7-5-4-6-15(18)2/h3-11H,1,12-14H2,2H3,(H,24,30)(H,25,29)