3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1-sulfanyl-indazole

Systemtic Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1-sulfanyl-indazole Openeye Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-nitro-1-sulfanyl-indazole CAS Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-mercapto-6-nitroindazole IUPAC Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-nitro-1-sulfanylindazole Traditional Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-mercapto-6-nitro-indazole Formula: C16H11N3O4S MolecularWeight: 341.34124

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NN(C4=C3C=CC(=C4)[N+](=O)[O-])S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NN(C4=C3C=CC(=C4)[N+](=O)[O-])S

InChI

InChI=1S/C16H11N3O4S/c20-19(21)11-3-4-12-13(17-18(24)14(12)8-11)5-1-10-2-6-15-16(7-10)23-9-22-15/h1-8,24H,9H2/b5-1+