N-(2,4-dimorpholin-4-ylphenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(2,4-dimorpholin-4-ylphenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(2,4-dimorpholinophenyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[2,4-bis(4-morpholinyl)phenyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(2,4-dimorpholin-4-ylphenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(2,4-dimorpholinophenyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C21H30N6O3S MolecularWeight: 446.5663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=C(C=C(C=C2)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H30N6O3S/c1-2-3-19-23-24-21(31)27(19)15-20(28)22-17-5-4-16(25-6-10-29-11-7-25)14-18(17)26-8-12-30-13-9-26/h4-5,14H,2-3,6-13,15H2,1H3,(H,22,28)(H,24,31)