N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(2-phenyl-2-pyrrolidino-ethyl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)CN2C(=NNC2=S)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)CN2C(=NNC2=S)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS2/c26-18(14-25-19(22-23-20(25)27)17-9-6-12-28-17)21-13-16(24-10-4-5-11-24)15-7-2-1-3-8-15/h1-3,6-9,12,16H,4-5,10-11,13-14H2,(H,21,26)(H,23,27)