4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(p-anisylthio)-1,2,4-triazole Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H29N3O3S/c1-28-20-12-9-17(10-13-20)16-31-24-26-25-23(27(24)19-7-5-4-6-8-19)18-11-14-21(29-2)22(15-18)30-3/h9-15,19H,4-8,16H2,1-3H3