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

Systemtic Name: ethyl 1-ethyl-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]benzimidazole-5-carboxylic acid ethyl ester Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N5O3S/c1-3-24-17-10-9-13(19(27)28-4-2)11-16(17)21-20(24)29-12-25-18(26)14-7-5-6-8-15(14)22-23-25/h5-11H,3-4,12H2,1-2H3