ethyl 2-[5-bromanyl-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-bromanyl-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 2-[5-bromo-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-6-oxo-1-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-bromo-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-4-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-6-keto-pyridazin-1-yl]acetic acid ethyl ester Formula: C22H18BrN5O3S MolecularWeight: 512.37902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(=C(C=N1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC(=O)CN1C(=O)C(=C(C=N1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C22H18BrN5O3S/c1-2-31-18(29)14-27-21(30)19(23)17(13-24-27)32-22-26-25-20(15-9-5-3-6-10-15)28(22)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3