2-[4-isocyano-5-[(2E)-2-(2-methylindol-3-ylidene)hydrazinyl]pyrazol-1-yl]benzene-1,4-disulfonate

Systemtic Name: 2-[4-isocyano-5-[(2E)-2-(2-methylindol-3-ylidene)hydrazinyl]pyrazol-1-yl]benzene-1,4-disulfonate Openeye Name: 2-[4-isocyano-5-[(2E)-2-(2-methylindol-3-ylidene)hydrazino]pyrazol-1-yl]benzene-1,4-disulfonate CAS Name: 2-[4-isocyano-5-[(2E)-2-(2-methyl-3-indolylidene)hydrazinyl]-1-pyrazolyl]benzene-1,4-disulfonate IUPAC Name: 2-[4-isocyano-5-[(2E)-2-(2-methylindol-3-ylidene)hydrazinyl]pyrazol-1-yl]benzene-1,4-disulfonate Traditional Name: 2-[4-isocyano-5-[(N'E)-N'-(2-methylindol-3-ylidene)hydrazino]pyrazol-1-yl]benzene-1,4-disulfonate Formula: C19H12N6O6S2-2 MolecularWeight: 484.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C1=NNC3=C(C=NN3C4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+]#[C-]

Isomeric SMILES

CC\1=NC2=CC=CC=C2/C1=N\NC3=C(C=NN3C4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+]#[C-]

InChI

InChI=1S/C19H14N6O6S2/c1-11-18(13-5-3-4-6-14(13)22-11)23-24-19-15(20-2)10-21-25(19)16-9-12(32(26,27)28)7-8-17(16)33(29,30)31/h3-10,24H,1H3,(H,26,27,28)(H,29,30,31)/p-2/b23-18-