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

Systemtic Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-ethanamide Openeye Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-acetamide CAS Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-pentylacetamide IUPAC Name: 2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide Traditional Name: 2-[[4-allyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-N-amyl-acetamide Formula: C18H22Cl2N4OS MolecularWeight: 413.36448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSC1=NN=C(N1CC=C)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCNC(=O)CSC1=NN=C(N1CC=C)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H22Cl2N4OS/c1-3-5-6-9-21-16(25)12-26-18-23-22-17(24(18)10-4-2)14-8-7-13(19)11-15(14)20/h4,7-8,11H,2-3,5-6,9-10,12H2,1H3,(H,21,25)