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

Systemtic Name: 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 3-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H27N3O3S/c1-13(24)14(2)27-20-22-21-19(23(20)16-8-6-5-7-9-16)15-10-11-17(25-3)18(12-15)26-4/h10-12,14,16H,5-9H2,1-4H3