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

Systemtic Name: 4-cyclohexyl-3-(2-methoxyethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(2-methoxyethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(2-methoxyethylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(2-methoxyethylsulfanyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(2-methoxyethylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

COCCSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H29N3O4S/c1-24-10-11-28-20-22-21-19(23(20)15-8-6-5-7-9-15)14-12-16(25-2)18(27-4)17(13-14)26-3/h12-13,15H,5-11H2,1-4H3