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

Systemtic Name: N-(4-pyrrolidin-1-ylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-pyrrolidin-1-ylphenyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(1-pyrrolidinyl)phenyl]-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-pyrrolidin-1-ylphenyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-pyrrolidinophenyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C19H21N5OS2/c25-18(20-14-5-7-15(8-6-14)24-9-1-2-10-24)13-27-19-21-17(22-23-19)12-16-4-3-11-26-16/h3-8,11H,1-2,9-10,12-13H2,(H,20,25)(H,21,22,23)