1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-3-phenylsulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-3-phenylsulfanyl-pyrrole-2,5-dione Openeye Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-3-phenylsulfanyl-pyrrole-2,5-dione CAS Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-(phenylthio)pyrrole-2,5-dione IUPAC Name: 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-phenylsulfanylpyrrole-2,5-dione Traditional Name: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]-methyl-amino]-3-(phenylthio)-3-pyrroline-2,5-quinone Formula: C17H11ClF3N3O2S MolecularWeight: 413.80135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C(=O)C=C(C2=O)SC3=CC=CC=C3

Isomeric SMILES

CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C(=O)C=C(C2=O)SC3=CC=CC=C3

InChI

InChI=1S/C17H11ClF3N3O2S/c1-23(15-12(18)7-10(9-22-15)17(19,20)21)24-14(25)8-13(16(24)26)27-11-5-3-2-4-6-11/h2-9H,1H3