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

Systemtic Name: 4-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C18H23N5O2S2 MolecularWeight: 405.53752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC#N)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCN1C(=NN=C1SCCCC#N)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H23N5O2S2/c1-2-23-17(20-21-18(23)26-13-6-3-10-19)15-8-7-9-16(14-15)27(24,25)22-11-4-5-12-22/h7-9,14H,2-6,11-13H2,1H3