2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-pyrrolidinobenzyl)acetamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS2/c1-2-26-20(18-6-5-13-28-18)23-24-21(26)29-15-19(27)22-14-16-7-9-17(10-8-16)25-11-3-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,22,27)