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

Systemtic Name: 1-(phenylmethyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione Openeye Name: 1-benzyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione CAS Name: 1-(phenylmethyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione IUPAC Name: 1-benzyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione Traditional Name: 1-benzyl-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-quinone Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)CC2=CC=CC=C2)SC3=NC=NN3

Isomeric SMILES

C1C(C(=O)N(C1=O)CC2=CC=CC=C2)SC3=NC=NN3

InChI

InChI=1S/C13H12N4O2S/c18-11-6-10(20-13-14-8-15-16-13)12(19)17(11)7-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,14,15,16)