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

Systemtic Name: 4-fluoranyl-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide CAS Name: 4-fluoro-N-[[5-[(3-methylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-fluoro-N-[[5-[(3-methylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]-4-fluoro-benzamide Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN4OS/c1-3-11-26-19(13-23-20(27)17-7-9-18(22)10-8-17)24-25-21(26)28-14-16-6-4-5-15(2)12-16/h3-10,12H,1,11,13-14H2,2H3,(H,23,27)