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

Systemtic Name: ethyl 2-[5-bromanyl-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-oxidanylidene-pyridazin-1-yl]ethanoate Openeye Name: ethyl 2-[5-bromo-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-oxo-pyridazin-1-yl]acetate CAS Name: 2-[5-bromo-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-6-oxo-1-pyridazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-bromo-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-oxopyridazin-1-yl]acetate Traditional Name: 2-[5-bromo-6-keto-4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]pyridazin-1-yl]acetic acid ethyl ester Formula: C17H16BrN5O3S MolecularWeight: 450.30964

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN5O3S/c1-3-26-14(24)10-22-16(25)15(18)13(9-19-22)27-17-21-20-11(2)23(17)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3