2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Openeye Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile CAS Name: 2-[[4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 2-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile Traditional Name: 2-[[4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]nicotinonitrile Formula: C20H20N6O2S2 MolecularWeight: 440.5418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=CC=N2)C#N)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=CC=N2)C#N)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N6O2S2/c1-2-26-18(23-24-20(26)29-19-16(14-21)8-6-10-22-19)15-7-5-9-17(13-15)30(27,28)25-11-3-4-12-25/h5-10,13H,2-4,11-12H2,1H3