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

Systemtic Name: 4-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-cyclohexyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC(=O)CCSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H29N3O4S/c1-14(25)10-11-29-21-23-22-20(24(21)16-8-6-5-7-9-16)15-12-17(26-2)19(28-4)18(13-15)27-3/h12-13,16H,5-11H2,1-4H3