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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(2,5-diethoxy-4-morpholino-phenyl)acetamide Formula: C18H26N6O4S MolecularWeight: 422.50184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C18H26N6O4S/c1-3-27-14-10-13(24-5-7-26-8-6-24)15(28-4-2)9-12(14)20-16(25)11-29-18-21-17(19)22-23-18/h9-10H,3-8,11H2,1-2H3,(H,20,25)(H3,19,21,22,23)