3-(cyclohexylmethylsulfanyl)-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-(cyclohexylmethylsulfanyl)-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-(cyclohexylmethylsulfanyl)-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-(cyclohexylmethylthio)-4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-(cyclohexylmethylsulfanyl)-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-(cyclohexylmethylthio)-4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C21H30N4O2S2 MolecularWeight: 434.6185

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2CCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2CCCCC2)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H30N4O2S2/c1-2-25-20(22-23-21(25)28-16-17-9-4-3-5-10-17)18-11-8-12-19(15-18)29(26,27)24-13-6-7-14-24/h8,11-12,15,17H,2-7,9-10,13-14,16H2,1H3