4-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine

Systemtic Name: 4-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine Openeye Name: 4-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethyl-pyrimidine CAS Name: 4-[[4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-2,6-dimethylpyrimidine IUPAC Name: 4-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2,6-dimethylpyrimidine Traditional Name: 4-[[4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]-2,6-dimethyl-pyrimidine Formula: C20H24N6O2S2 MolecularWeight: 444.57356

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=NC(=NC(=C2)C)C)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SC2=NC(=NC(=C2)C)C)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H24N6O2S2/c1-4-26-19(23-24-20(26)29-18-12-14(2)21-15(3)22-18)16-8-7-9-17(13-16)30(27,28)25-10-5-6-11-25/h7-9,12-13H,4-6,10-11H2,1-3H3