1-(2-chloranyl-4-methyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione

Systemtic Name: 1-(2-chloranyl-4-methyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione Openeye Name: 1-(2-chloro-4-methyl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione CAS Name: 1-(2-chloro-4-methylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione IUPAC Name: 1-(2-chloro-4-methylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)pyrrolidine-2,5-dione Traditional Name: 1-(2-chloro-4-methyl-phenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-quinone Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O2S/c1-7-2-3-9(8(14)4-7)18-11(19)5-10(12(18)20)21-13-15-6-16-17-13/h2-4,6,10H,5H2,1H3,(H,15,16,17)