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

Systemtic Name: 2-[[4-ethyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-ethyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-ethyl-5-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-ethyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-ethyl-5-(4-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C16H19N5O2S2 MolecularWeight: 377.48436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC#N)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC#N)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H19N5O2S2/c1-2-21-15(18-19-16(21)24-12-9-17)13-5-7-14(8-6-13)25(22,23)20-10-3-4-11-20/h5-8H,2-4,10-12H2,1H3