ethyl 3-oxidanylidene-2-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]-2-phenyldiazenyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-2-[[5-oxidanylidene-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]sulfanyl]-2-phenyldiazenyl-butanoate Openeye Name: ethyl 2-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]-3-oxo-2-phenylazo-butanoate CAS Name: 3-oxo-2-[[5-oxo-6-(phenylmethyl)-2H-1,2,4-triazin-3-yl]thio]-2-phenyldiazenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-benzyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]-3-oxo-2-phenyldiazenylbutanoate Traditional Name: 2-[(6-benzyl-5-keto-2H-1,2,4-triazin-3-yl)thio]-3-keto-2-phenylazo-butyric acid ethyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)(N=NC1=CC=CC=C1)SC2=NC(=O)C(=NN2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(=O)C)(N=NC1=CC=CC=C1)SC2=NC(=O)C(=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N5O4S/c1-3-31-20(30)22(15(2)28,27-24-17-12-8-5-9-13-17)32-21-23-19(29)18(25-26-21)14-16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3,(H,23,26,29)