2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-yl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylbutyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pentan-2-ylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]-N-(1-methylbutyl)acetamide Formula: C23H35N5O2S MolecularWeight: 445.6213

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)CNC3=CC(=CC=C3)OC

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NN=C(N1C2CCCCC2)CNC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H35N5O2S/c1-4-9-17(2)25-22(29)16-31-23-27-26-21(28(23)19-11-6-5-7-12-19)15-24-18-10-8-13-20(14-18)30-3/h8,10,13-14,17,19,24H,4-7,9,11-12,15-16H2,1-3H3,(H,25,29)