4-cyclohexyl-3-(3-phenoxypropylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(3-phenoxypropylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(3-phenoxypropylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(3-phenoxypropylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(3-phenoxypropylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(3-phenoxypropylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3CCCCC3)SCCCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3CCCCC3)SCCCOC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4S/c1-30-22-17-19(18-23(31-2)24(22)32-3)25-27-28-26(29(25)20-11-6-4-7-12-20)34-16-10-15-33-21-13-8-5-9-14-21/h5,8-9,13-14,17-18,20H,4,6-7,10-12,15-16H2,1-3H3