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

Systemtic Name: N-[[4-cyclohexyl-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[4-cyclohexyl-5-[2-(2-pyridyl)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-[2-(2-pyridinyl)ethylthio]-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[4-cyclohexyl-5-(2-pyridin-2-ylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [4-cyclohexyl-5-[2-(2-pyridyl)ethylthio]-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCCC4=CC=CC=N4

InChI

InChI=1S/C23H29N5OS/c1-29-21-12-7-9-19(16-21)25-17-22-26-27-23(28(22)20-10-3-2-4-11-20)30-15-13-18-8-5-6-14-24-18/h5-9,12,14,16,20,25H,2-4,10-11,13,15,17H2,1H3