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

Systemtic Name: 2-[[4-azanyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[4-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[4-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[4-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[4-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2S/c1-14(2)18-11-10-15(3)12-19(18)29-13-20-25-26-22(27(20)23)30-16(4)21(28)24-17-8-6-5-7-9-17/h5-12,14,16H,13,23H2,1-4H3,(H,24,28)