2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C21H23N5O3S3 MolecularWeight: 489.63402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C21H23N5O3S3/c27-19(22-15-5-3-6-17(13-15)32(28,29)25-10-1-2-11-25)14-31-21-24-23-20(18-7-4-12-30-18)26(21)16-8-9-16/h3-7,12-13,16H,1-2,8-11,14H2,(H,22,27)