2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide Formula: C22H28N6O4S2 MolecularWeight: 504.62552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C22H28N6O4S2/c1-3-31-17-13-16(27-7-9-30-10-8-27)18(32-4-2)12-15(17)24-20(29)14-34-22-26-25-21(28(22)23)19-6-5-11-33-19/h5-6,11-13H,3-4,7-10,14,23H2,1-2H3,(H,24,29)