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

Systemtic Name: 4-cyclohexyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(4-methoxyphenyl)methylthio]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(p-anisylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C25H31N3O4S MolecularWeight: 469.59634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4S/c1-29-20-12-10-17(11-13-20)16-33-25-27-26-24(28(25)19-8-6-5-7-9-19)18-14-21(30-2)23(32-4)22(15-18)31-3/h10-15,19H,5-9,16H2,1-4H3