1-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-3-[4-(trifluoromethyloxy)phenyl]thiourea

Systemtic Name: 1-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-3-[4-(trifluoromethyloxy)phenyl]thiourea Openeye Name: 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea CAS Name: 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea IUPAC Name: 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea Traditional Name: 1-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]thiourea Formula: C16H16F3N3O2S MolecularWeight: 371.37735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F)C

InChI

InChI=1S/C16H16F3N3O2S/c1-9-7-10(2)21-14(23)13(9)8-20-15(25)22-11-3-5-12(6-4-11)24-16(17,18)19/h3-7H,8H2,1-2H3,(H,21,23)(H2,20,22,25)