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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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