2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H20Cl2N4OS MolecularWeight: 447.3807

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N4OS/c1-2-12-27-20(17-9-8-16(22)13-18(17)23)25-26-21(27)29-14-19(28)24-11-10-15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2,(H,24,28)