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

Systemtic Name: 2-[[4-azanyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-propanamide Openeye Name: 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-propanamide CAS Name: 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methylpropanamide IUPAC Name: 2-[[4-amino-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methylpropanamide Traditional Name: 2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-methyl-propionamide Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SC(C)C(=O)N(C)C3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SC(C)C(=O)N(C)C3CCCCC3

InChI

InChI=1S/C22H33N5O2S/c1-15(2)17-10-12-19(13-11-17)29-14-20-24-25-22(27(20)23)30-16(3)21(28)26(4)18-8-6-5-7-9-18/h10-13,15-16,18H,5-9,14,23H2,1-4H3