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

Systemtic Name: 2-[[4-azanyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NN=C(N2N)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-14(2)17-10-9-15(3)11-18(17)28-12-19-24-25-21(26(19)22)29-13-20(27)23-16-7-5-4-6-8-16/h4-11,14H,12-13,22H2,1-3H3,(H,23,27)