4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-isobutylsulfanyl-1,2,4-triazole CAS Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylpropylthio)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-(isobutylthio)-1,2,4-triazole Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CSC1=NN=C(N1C2CCCCC2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H29N3O2S/c1-14(2)13-26-20-22-21-19(23(20)16-8-6-5-7-9-16)15-10-11-17(24-3)18(12-15)25-4/h10-12,14,16H,5-9,13H2,1-4H3