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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C19H23BrN4OS MolecularWeight: 435.38112

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC(=CC=C3)Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H23BrN4OS/c1-2-11-24-18(14-7-6-8-15(20)12-14)22-23-19(24)26-13-17(25)21-16-9-4-3-5-10-16/h2,6-8,12,16H,1,3-5,9-11,13H2,(H,21,25)