2-(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide

Systemtic Name: 2-(5-azanyl-3-morpholin-4-yl-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide Openeye Name: 2-(5-amino-3-morpholino-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide CAS Name: 2-[5-amino-3-(4-morpholinyl)-1,2,4-triazol-1-yl]-3-(3,4-dimethoxyphenyl)propanethioamide IUPAC Name: 2-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)propanethioamide Traditional Name: 2-(5-amino-3-morpholino-1,2,4-triazol-1-yl)-3-(3,4-dimethoxyphenyl)thiopropionamide Formula: C17H24N6O3S MolecularWeight: 392.47586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=S)N)N2C(=NC(=N2)N3CCOCC3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=S)N)N2C(=NC(=N2)N3CCOCC3)N)OC

InChI

InChI=1S/C17H24N6O3S/c1-24-13-4-3-11(10-14(13)25-2)9-12(15(18)27)23-16(19)20-17(21-23)22-5-7-26-8-6-22/h3-4,10,12H,5-9H2,1-2H3,(H2,18,27)(H2,19,20,21)