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

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C21H25N5O3S3 MolecularWeight: 491.6499

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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)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CS4

InChI

InChI=1S/C21H25N5O3S3/c1-3-26-19(18-7-6-14-30-18)23-24-21(26)31-15(2)20(27)22-16-8-10-17(11-9-16)32(28,29)25-12-4-5-13-25/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,27)