3-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-indole-5-sulfonic acid

Systemtic Name: 3-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-2-oxidanylidene-indole-5-sulfonic acid Openeye Name: 3-[2-[(4-methoxyphenyl)carbamothioyl]hydrazino]-2-oxo-indole-5-sulfonic acid CAS Name: 3-[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazo]-2-oxo-5-indolesulfonic acid IUPAC Name: 3-[2-[(4-methoxyphenyl)carbamothioyl]hydrazinyl]-2-oxoindole-5-sulfonic acid Traditional Name: 2-keto-3-[N'-[(4-methoxyphenyl)thiocarbamoyl]hydrazino]indole-5-sulfonic acid Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NNC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)O

InChI

InChI=1S/C16H14N4O5S2/c1-25-10-4-2-9(3-5-10)17-16(26)20-19-14-12-8-11(27(22,23)24)6-7-13(12)18-15(14)21/h2-8H,1H3,(H2,17,20,26)(H,18,19,21)(H,22,23,24)