3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(3-nitrophenyl)-1-sulfanyl-indazol-6-amine

Systemtic Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(3-nitrophenyl)-1-sulfanyl-indazol-6-amine Openeye Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-N-(3-nitrophenyl)-1-sulfanyl-indazol-6-amine CAS Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-mercapto-N-(3-nitrophenyl)-6-indazolamine IUPAC Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(3-nitrophenyl)-1-sulfanylindazol-6-amine Traditional Name: [3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-mercapto-indazol-6-yl]-(3-nitrophenyl)amine Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NN(C4=C3C=CC(=C4)NC5=CC(=CC=C5)[N+](=O)[O-])S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NN(C4=C3C=CC(=C4)NC5=CC(=CC=C5)[N+](=O)[O-])S

InChI

InChI=1S/C22H16N4O4S/c27-26(28)17-3-1-2-15(11-17)23-16-6-7-18-19(24-25(31)20(18)12-16)8-4-14-5-9-21-22(10-14)30-13-29-21/h1-12,23,31H,13H2/b8-4+