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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pentyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-pentylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pentylacetamide Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-amyl-acetamide Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4OS/c1-3-5-6-11-20-16(24)13-25-18-22-21-17(23(18)12-4-2)14-7-9-15(19)10-8-14/h4,7-10H,2-3,5-6,11-13H2,1H3,(H,20,24)