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

Systemtic Name: 2-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)NC3CCCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C21H31N5O2S/c1-15(2)16-9-11-18(12-10-16)28-13-19-24-25-21(26(19)22)29-14-20(27)23-17-7-5-3-4-6-8-17/h9-12,15,17H,3-8,13-14,22H2,1-2H3,(H,23,27)