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

Systemtic Name: 2-[[5-[(2-chloranyl-5-methyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[4-allyl-5-[(2-chloro-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5-[(2-chloro-5-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5-[(2-chloro-5-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[4-allyl-5-[(2-chloro-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C22H29ClN4O2S MolecularWeight: 449.00926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2CC=C)SCC(=O)NC3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC2=NN=C(N2CC=C)SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C22H29ClN4O2S/c1-3-12-27-20(14-29-19-13-16(2)10-11-18(19)23)25-26-22(27)30-15-21(28)24-17-8-6-4-5-7-9-17/h3,10-11,13,17H,1,4-9,12,14-15H2,2H3,(H,24,28)