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

Systemtic Name: N-[1-[5-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methoxy-benzamide Openeye Name: N-[1-[4-allyl-5-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methoxy-benzamide CAS Name: N-[1-[5-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methoxybenzamide IUPAC Name: N-[1-[5-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methoxybenzamide Traditional Name: N-[1-[4-allyl-5-[[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-2-methyl-propyl]-4-methoxy-benzamide Formula: C25H27ClFN5O3S MolecularWeight: 532.029983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=C(N1CC=C)SCC(=O)NC2=CC(=C(C=C2)F)Cl)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C(C1=NN=C(N1CC=C)SCC(=O)NC2=CC(=C(C=C2)F)Cl)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H27ClFN5O3S/c1-5-12-32-23(22(15(2)3)29-24(34)16-6-9-18(35-4)10-7-16)30-31-25(32)36-14-21(33)28-17-8-11-20(27)19(26)13-17/h5-11,13,15,22H,1,12,14H2,2-4H3,(H,28,33)(H,29,34)