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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazole Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O2S/c1-27(2,3)21-14-11-19(12-15-21)18-33-26-29-28-25(30(26)22-9-7-6-8-10-22)20-13-16-23(31-4)24(17-20)32-5/h11-17,22H,6-10,18H2,1-5H3