tert-butyl 2-[(2E)-2-(6-azanyl-3-bromanyl-5-oxidanylidene-pyridin-2-ylidene)hydrazinyl]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: tert-butyl 2-[(2E)-2-(6-azanyl-3-bromanyl-5-oxidanylidene-pyridin-2-ylidene)hydrazinyl]-5-phenyl-thiophene-3-carboxylate Openeye Name: tert-butyl 2-[(2E)-2-(6-amino-3-bromo-5-oxo-2-pyridylidene)hydrazino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[(2E)-2-(6-amino-3-bromo-5-oxo-2-pyridinylidene)hydrazinyl]-5-phenyl-3-thiophenecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2E)-2-(6-amino-3-bromo-5-oxopyridin-2-ylidene)hydrazinyl]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(N'E)-N'-(6-amino-3-bromo-5-keto-2-pyridylidene)hydrazino]-5-phenyl-thiophene-3-carboxylic acid tert-butyl ester Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NN=C3C(=CC(=O)C(=N3)N)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N/N=C/3\C(=CC(=O)C(=N3)N)Br

InChI

InChI=1S/C20H19BrN4O3S/c1-20(2,3)28-19(27)12-9-15(11-7-5-4-6-8-11)29-18(12)25-24-17-13(21)10-14(26)16(22)23-17/h4-10,25H,1-3H3,(H2,22,23,24)