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

Systemtic Name: N-[[4-cyclohexyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-3-methoxy-aniline Openeye Name: N-[(5-benzylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-methoxy-aniline CAS Name: N-[[4-cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-3-methoxyaniline IUPAC Name: N-[(5-benzylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-methoxyaniline Traditional Name: [5-(benzylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl-(3-methoxyphenyl)amine Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NCC2=NN=C(N2C3CCCCC3)SCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4OS/c1-28-21-14-8-11-19(15-21)24-16-22-25-26-23(27(22)20-12-6-3-7-13-20)29-17-18-9-4-2-5-10-18/h2,4-5,8-11,14-15,20,24H,3,6-7,12-13,16-17H2,1H3