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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H23ClN4O2S/c1-4-9-27-20(13-29-19-7-5-17(23)6-8-19)25-26-22(27)30-14-21(28)24-18-11-15(2)10-16(3)12-18/h4-8,10-12H,1,9,13-14H2,2-3H3,(H,24,28)