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

Systemtic Name: 2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=C(N1C2CCCCC2)CNC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)N)SC1=NN=C(N1C2CCCCC2)CNC3=CC(=CC=C3)OC

InChI

InChI=1S/C19H27N5O2S/c1-13(18(20)25)27-19-23-22-17(24(19)15-8-4-3-5-9-15)12-21-14-7-6-10-16(11-14)26-2/h6-7,10-11,13,15,21H,3-5,8-9,12H2,1-2H3,(H2,20,25)