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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[4-allyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCC2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2CCCCCC2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2S/c1-2-13-26-19(14-28-18-11-9-16(22)10-12-18)24-25-21(26)29-15-20(27)23-17-7-5-3-4-6-8-17/h2,9-12,17H,1,3-8,13-15H2,(H,23,27)