(2S)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: (2S)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: (2S)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: (2S)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: (2S)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: (2S)-2-[(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C20H23N7OS2 MolecularWeight: 441.57292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C(CC)SC2=NC3=C(C4=CC=CC=C4N3CC)N=N2

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)[C@H](CC)SC2=NC3=C(C4=CC=CC=C4N3CC)N=N2

InChI

InChI=1S/C20H23N7OS2/c1-4-9-15-23-25-20(30-15)22-18(28)14(5-2)29-19-21-17-16(24-26-19)12-10-7-8-11-13(12)27(17)6-3/h7-8,10-11,14H,4-6,9H2,1-3H3,(H,22,25,28)/t14-/m0/s1