1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]thiourea Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carbonyl)amino]thiourea CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[[3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)amino]thiourea Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[3-cyano-6-cyclopropyl-2-(methylthio)isonicotinoyl]amino]thiourea Formula: C19H15ClF3N5OS2 MolecularWeight: 485.93351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NNC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NNC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C19H15ClF3N5OS2/c1-31-17-12(8-24)11(7-14(25-17)9-2-3-9)16(29)27-28-18(30)26-15-6-10(19(21,22)23)4-5-13(15)20/h4-7,9H,2-3H2,1H3,(H,27,29)(H2,26,28,30)