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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C20H19ClN4O2S MolecularWeight: 414.90846

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O2S/c1-2-12-25-18(13-27-17-10-8-15(21)9-11-17)23-24-20(25)28-14-19(26)22-16-6-4-3-5-7-16/h2-11H,1,12-14H2,(H,22,26)