ethyl N-[3-(5-nitrothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanimidate

Systemtic Name: ethyl N-[3-(5-nitrothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanimidate Openeye Name: ethyl N-[3-(5-nitro-2-thienyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanimidate CAS Name: N-[3-(5-nitro-2-thiophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanimidic acid ethyl ester IUPAC Name: ethyl N-[3-(5-nitrothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]methanimidate Traditional Name: N-[3-(5-nitro-2-thienyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]formimidic acid ethyl ester Formula: C12H10N6O3S MolecularWeight: 318.3112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=NC1=NN2C(=NN=C2C3=CC=C(S3)[N+](=O)[O-])C=C1

Isomeric SMILES

CCOC=NC1=NN2C(=NN=C2C3=CC=C(S3)[N+](=O)[O-])C=C1

InChI

InChI=1S/C12H10N6O3S/c1-2-21-7-13-9-4-5-10-14-15-12(17(10)16-9)8-3-6-11(22-8)18(19)20/h3-7H,2H2,1H3