(3S)-1-(4-iodophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-iodophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-iodophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-iodophenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-iodophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-iodophenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-quinone Formula: C12H9IN4O2S MolecularWeight: 400.19493

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)I)SC3=NC=NN3

Isomeric SMILES

C1[C@@H](C(=O)N(C1=O)C2=CC=C(C=C2)I)SC3=NC=NN3

InChI

InChI=1S/C12H9IN4O2S/c13-7-1-3-8(4-2-7)17-10(18)5-9(11(17)19)20-12-14-6-15-16-12/h1-4,6,9H,5H2,(H,14,15,16)/t9-/m0/s1