(2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H27N5O3S2 MolecularWeight: 449.59008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1S[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4CC4

InChI

InChI=1S/C20H27N5O3S2/c1-3-25-18(15-6-7-15)22-23-20(25)29-14(2)19(26)21-16-8-10-17(11-9-16)30(27,28)24-12-4-5-13-24/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,26)/t14-/m0/s1