[2-[[4-(4-chlorophenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]ethanoylamino]carbamodithioic acid

Systemtic Name: [2-[[4-(4-chlorophenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]ethanoylamino]carbamodithioic acid Openeye Name: [[2-[[4-(4-chlorophenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]acetyl]amino]carbamodithioic acid CAS Name: [[2-[[4-(4-chlorophenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]-1-oxoethyl]amino]carbamodithioic acid IUPAC Name: [[2-[[4-(4-chlorophenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]acetyl]amino]carbamodithioic acid Traditional Name: [[2-[[4-(4-chlorophenyl)sulfonyl-1H-pyrrol-3-yl]sulfonyl]acetyl]amino]carbamodithioic acid Formula: C13H12ClN3O5S4 MolecularWeight: 453.96448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)C2=CNC=C2S(=O)(=O)CC(=O)NNC(=S)S)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)C2=CNC=C2S(=O)(=O)CC(=O)NNC(=S)S)Cl

InChI

InChI=1S/C13H12ClN3O5S4/c14-8-1-3-9(4-2-8)26(21,22)11-6-15-5-10(11)25(19,20)7-12(18)16-17-13(23)24/h1-6,15H,7H2,(H,16,18)(H2,17,23,24)