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

Systemtic Name: 1-(3-methylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione Openeye Name: 1-(m-tolyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione CAS Name: 1-(3-methylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione IUPAC Name: 1-(3-methylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione Traditional Name: 1-(m-tolyl)-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:

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC3=NC=NN3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC3=NC=NN3

InChI

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