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

Systemtic Name: N-tert-butyl-2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O2S/c1-22(2,3)24-20(28)15-30-21-26-25-19(27(21)17-10-6-5-7-11-17)14-23-16-9-8-12-18(13-16)29-4/h8-9,12-13,17,23H,5-7,10-11,14-15H2,1-4H3,(H,24,28)