3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-pyrrolidine-2,5-dione

Systemtic Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylpyrrolidine-2,5-dione IUPAC Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpyrrolidine-2,5-dione Traditional Name: 3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenyl-pyrrolidine-2,5-quinone Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC2CC(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1)SC2CC(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4O2S/c1-8-14-13(16-15-8)20-10-7-11(18)17(12(10)19)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,14,15,16)