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

Systemtic Name: N-cycloheptyl-2-[[5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cycloheptyl-2-[[5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cycloheptyl-2-[[5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[[5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cycloheptyl-2-[[5-[(3,5-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NN=C(N2C)SCC(=O)NC3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NN=C(N2C)SCC(=O)NC3CCCCCC3)C

InChI

InChI=1S/C21H30N4O2S/c1-15-10-16(2)12-18(11-15)27-13-19-23-24-21(25(19)3)28-14-20(26)22-17-8-6-4-5-7-9-17/h10-12,17H,4-9,13-14H2,1-3H3,(H,22,26)