4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-1,2,4-triazole Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-27-20-13-18(14-21(15-20)28-2)22-24-25-23(26(22)19-11-7-4-8-12-19)29-16-17-9-5-3-6-10-17/h3,5-6,9-10,13-15,19H,4,7-8,11-12,16H2,1-2H3