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

Systemtic Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-methyl-N-(3-nitrophenyl)-1-sulfanyl-indazol-6-amine Openeye Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-N-methyl-N-(3-nitrophenyl)-1-sulfanyl-indazol-6-amine CAS Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-mercapto-N-methyl-N-(3-nitrophenyl)-6-indazolamine IUPAC Name: 3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-methyl-N-(3-nitrophenyl)-1-sulfanylindazol-6-amine Traditional Name: [3-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-1-mercapto-indazol-6-yl]-methyl-(3-nitrophenyl)amine Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC=C1)[N+](=O)[O-])C2=CC3=C(C=C2)C(=NN3S)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C1=CC(=CC=C1)[N+](=O)[O-])C2=CC3=C(C=C2)C(=NN3S)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H18N4O4S/c1-25(16-3-2-4-18(12-16)27(28)29)17-7-8-19-20(24-26(32)21(19)13-17)9-5-15-6-10-22-23(11-15)31-14-30-22/h2-13,32H,14H2,1H3/b9-5+