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

Systemtic Name: (2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(4-pyrrolidinosulfonylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H21N5O3S3 MolecularWeight: 463.59674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C19H21N5O3S3/c1-13(29-19-21-17(22-23-19)16-5-4-12-28-16)18(25)20-14-6-8-15(9-7-14)30(26,27)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,20,25)(H,21,22,23)/t13-/m0/s1