6-(3-nitrophenyl)-3-prop-2-enylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine

Systemtic Name: 6-(3-nitrophenyl)-3-prop-2-enylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine Openeye Name: 3-allylsulfanyl-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine CAS Name: 6-(3-nitrophenyl)-3-(prop-2-enylthio)-[1,2,4]triazolo[4,3-b]pyridazine IUPAC Name: 6-(3-nitrophenyl)-3-prop-2-enylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine Traditional Name: 3-(allylthio)-6-(3-nitrophenyl)-[1,2,4]triazolo[4,3-b]pyridazine Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O2S/c1-2-8-22-14-16-15-13-7-6-12(17-18(13)14)10-4-3-5-11(9-10)19(20)21/h2-7,9H,1,8H2