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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4OS/c1-2-13-25-19(15-9-11-16(21)12-10-15)23-24-20(25)27-14-18(26)22-17-7-5-3-4-6-8-17/h2,9-12,17H,1,3-8,13-14H2,(H,22,26)