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

Systemtic Name: 2-[[4-azanyl-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC(=O)NC3CCCCCC3

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2N)SCC(=O)NC3CCCCCC3

InChI

InChI=1S/C19H27N5O3S/c1-26-15-9-6-10-16(11-15)27-12-17-22-23-19(24(17)20)28-13-18(25)21-14-7-4-2-3-5-8-14/h6,9-11,14H,2-5,7-8,12-13,20H2,1H3,(H,21,25)