2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)thio]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)thio]-N-(2-thenyl)acetamide Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC=CC=C2C3=NN=C(N31)SCC(=O)NCC4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=NC2=CC=CC=C2C3=NN=C(N31)SCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H21N5OS2/c1-20(2,3)18-22-15-9-5-4-8-14(15)17-23-24-19(25(17)18)28-12-16(26)21-11-13-7-6-10-27-13/h4-10H,11-12H2,1-3H3,(H,21,26)