2-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[[5-[(2-fluoranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3F

InChI

InChI=1S/C21H21FN4O2S/c1-3-12-26-19(13-28-18-11-7-5-9-16(18)22)24-25-21(26)29-14-20(27)23-17-10-6-4-8-15(17)2/h3-11H,1,12-14H2,2H3,(H,23,27)