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

Systemtic Name: N-[[5-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-allyl-5-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide CAS Name: N-[[5-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide IUPAC Name: N-[[5-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide Traditional Name: N-[[4-allyl-5-[[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide Formula: C22H21ClFN5O2S MolecularWeight: 473.950843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F)Cl

InChI

InChI=1S/C22H21ClFN5O2S/c1-3-10-29-19(12-25-21(31)16-6-4-5-7-18(16)24)27-28-22(29)32-13-20(30)26-15-9-8-14(2)17(23)11-15/h3-9,11H,1,10,12-13H2,2H3,(H,25,31)(H,26,30)