1-cyano-2-propan-2-yl-3-[4-[[3-(trifluoromethyl)phenyl]amino]pyridin-3-yl]sulfonyl-guanidine

Systemtic Name: 1-cyano-2-propan-2-yl-3-[4-[[3-(trifluoromethyl)phenyl]amino]pyridin-3-yl]sulfonyl-guanidine Openeye Name: 1-cyano-2-isopropyl-3-[[4-[3-(trifluoromethyl)anilino]-3-pyridyl]sulfonyl]guanidine CAS Name: 1-cyano-2-propan-2-yl-3-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]guanidine IUPAC Name: 1-cyano-2-propan-2-yl-3-[4-[3-(trifluoromethyl)anilino]pyridin-3-yl]sulfonylguanidine Traditional Name: 1-cyano-2-isopropyl-3-[[4-[3-(trifluoromethyl)anilino]-3-pyridyl]sulfonyl]guanidine Formula: C17H17F3N6O2S MolecularWeight: 426.41609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3N6O2S/c1-11(2)24-16(23-10-21)26-29(27,28)15-9-22-7-6-14(15)25-13-5-3-4-12(8-13)17(18,19)20/h3-9,11H,1-2H3,(H,22,25)(H2,23,24,26)