N-[[4-cyclohexyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline

Systemtic Name: N-[[4-cyclohexyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-(2-morpholinoethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[2-(4-morpholinyl)ethylthio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-(2-morpholinoethylthio)-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C22H33N5O2S MolecularWeight: 431.59472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCN4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCN4CCOCC4

InChI

InChI=1S/C22H33N5O2S/c1-28-20-9-5-6-18(16-20)23-17-21-24-25-22(27(21)19-7-3-2-4-8-19)30-15-12-26-10-13-29-14-11-26/h5-6,9,16,19,23H,2-4,7-8,10-15,17H2,1H3