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

Systemtic Name: 2-[[5-(3-chloranyl-4-methyl-phenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-allyl-5-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(3-chloro-4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-allyl-5-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C20H25ClN4OS/c1-3-11-25-19(15-10-9-14(2)17(21)12-15)23-24-20(25)27-13-18(26)22-16-7-5-4-6-8-16/h3,9-10,12,16H,1,4-8,11,13H2,2H3,(H,22,26)