6-(3-nitrophenyl)-3-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine

Systemtic Name: 6-(3-nitrophenyl)-3-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine Openeye Name: 3-isopropylsulfanyl-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine CAS Name: 6-(3-nitrophenyl)-3-(propan-2-ylthio)-[1,2,4]triazolo[4,3-b]pyridazine IUPAC Name: 6-(3-nitrophenyl)-3-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine Traditional Name: 3-(isopropylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O2S/c1-9(2)22-14-16-15-13-7-6-12(17-18(13)14)10-4-3-5-11(8-10)19(20)21/h3-9H,1-2H3