2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one

Systemtic Name: 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexanone CAS Name: 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]cyclohexanone Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SC4CCCCC4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3CCCCC3)SC4CCCCC4=O)OC

InChI

InChI=1S/C22H29N3O3S/c1-27-18-13-12-15(14-19(18)28-2)21-23-24-22(25(21)16-8-4-3-5-9-16)29-20-11-7-6-10-17(20)26/h12-14,16,20H,3-11H2,1-2H3