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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[[5-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline CAS Name: N-[[5-(1,3-benzoxazol-2-ylmethylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[[5-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline Traditional Name: [5-(1,3-benzoxazol-2-ylmethylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H27N5O2S/c1-30-19-11-7-8-17(14-19)25-15-22-27-28-24(29(22)18-9-3-2-4-10-18)32-16-23-26-20-12-5-6-13-21(20)31-23/h5-8,11-14,18,25H,2-4,9-10,15-16H2,1H3