2-[[4-azanyl-5-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[[4-azanyl-5-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[4-amino-5-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[4-amino-5-[[2-(diethylamino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-amino-5-[[2-(diethylamino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]thio]-N-(5-quinolyl)propionamide Formula: C20H25N7O2S2 MolecularWeight: 459.5882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1N)SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1N)SC(C)C(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C20H25N7O2S2/c1-4-26(5-2)17(28)12-30-19-24-25-20(27(19)21)31-13(3)18(29)23-16-10-6-9-15-14(16)8-7-11-22-15/h6-11,13H,4-5,12,21H2,1-3H3,(H,23,29)