2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one

Systemtic Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one Openeye Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-1-propanone IUPAC Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C26H31N3O4S/c1-17(23(30)18-11-7-5-8-12-18)34-26-28-27-25(29(26)20-13-9-6-10-14-20)19-15-21(31-2)24(33-4)22(16-19)32-3/h5,7-8,11-12,15-17,20H,6,9-10,13-14H2,1-4H3