3-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[5-[(4-chloranyl-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-[(4-chloro-2-methylphenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[5-[(4-chloro-2-methyl-phenoxy)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H25ClN4O2S MolecularWeight: 408.9454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(N2C3CCCCC3)SCCC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(N2C3CCCCC3)SCCC(=O)N

InChI

InChI=1S/C19H25ClN4O2S/c1-13-11-14(20)7-8-16(13)26-12-18-22-23-19(27-10-9-17(21)25)24(18)15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12H2,1H3,(H2,21,25)