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

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C19H23ClN4OS MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H23ClN4OS/c1-2-12-24-18(15-10-6-7-11-16(15)20)22-23-19(24)26-13-17(25)21-14-8-4-3-5-9-14/h2,6-7,10-11,14H,1,3-5,8-9,12-13H2,(H,21,25)