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

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)CN2C(=NNC2=S)C3=CC=CS3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)CN2C(=NNC2=S)C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C21H25N5O2S2/c1-28-16-7-4-6-15(12-16)17(25-9-2-3-10-25)13-22-19(27)14-26-20(23-24-21(26)29)18-8-5-11-30-18/h4-8,11-12,17H,2-3,9-10,13-14H2,1H3,(H,22,27)(H,24,29)