sodium [4-[(E)-2-(methylsulfanylcarbothioylamino)ethenyl]phenyl] sulfate

Systemtic Name: sodium [4-[(E)-2-(methylsulfanylcarbothioylamino)ethenyl]phenyl] sulfate Openeye Name: sodium [4-[(E)-2-(methylsulfanylcarbothioylamino)vinyl]phenyl] sulfate CAS Name: sodium [4-[(E)-2-[[(methylthio)-sulfanylidenemethyl]amino]ethenyl]phenyl] sulfate IUPAC Name: sodium [4-[(E)-2-(methylsulfanylcarbothioylamino)ethenyl]phenyl] sulfate Traditional Name: sodium [4-[(E)-2-[(methylthio)carbothioylamino]vinyl]phenyl] sulfate Formula: C10H10NNaO4S3 MolecularWeight: 327.37547

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)NC=CC1=CC=C(C=C1)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CSC(=S)N/C=C/C1=CC=C(C=C1)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H11NO4S3.Na/c1-17-10(16)11-7-6-8-2-4-9(5-3-8)15-18(12,13)14;/h2-7H,1H3,(H,11,16)(H,12,13,14);/q;+1/p-1/b7-6+;