3-(1-benzofuran-2-yl)-4-cyclohexyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-4-cyclohexyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-4-cyclohexyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-4-cyclohexyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-4-cyclohexyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-4-cyclohexyl-5-[(4-methylbenzyl)thio]-1,2,4-triazole Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C24H25N3OS/c1-17-11-13-18(14-12-17)16-29-24-26-25-23(27(24)20-8-3-2-4-9-20)22-15-19-7-5-6-10-21(19)28-22/h5-7,10-15,20H,2-4,8-9,16H2,1H3