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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC(=CC=C4)OC)OC

InChI

InChI=1S/C24H29N3O3S/c1-28-20-11-7-8-17(14-20)16-31-24-26-25-23(27(24)19-9-5-4-6-10-19)18-12-13-21(29-2)22(15-18)30-3/h7-8,11-15,19H,4-6,9-10,16H2,1-3H3