2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)ethanamide Openeye Name: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide CAS Name: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide IUPAC Name: 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide Traditional Name: N-(5-keto-1-phenyl-2-pyrazolin-3-yl)-2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide Formula: C21H17N7O2S MolecularWeight: 431.47038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NN(C(=O)C4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=NN(C(=O)C4)C5=CC=CC=C5

InChI

InChI=1S/C21H17N7O2S/c1-27-15-10-6-5-9-14(15)19-20(27)23-21(25-24-19)31-12-17(29)22-16-11-18(30)28(26-16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,26,29)