3-[4-ethyl-5-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-5-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-5-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-5-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-1,2,4-triazol-3-yl]propionamide Formula: C15H17N7O2S MolecularWeight: 359.40618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2)CCC(=O)N

InChI

InChI=1S/C15H17N7O2S/c1-2-21-13(8-7-12(16)23)18-19-15(21)25-9-22-14(24)10-5-3-4-6-11(10)17-20-22/h3-6H,2,7-9H2,1H3,(H2,16,23)