N-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioyl]-4-methyl-benzamide

Systemtic Name: N-[[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: N-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C15H12ClF3N4OS MolecularWeight: 388.79519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NNC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C15H12ClF3N4OS/c1-8-2-4-9(5-3-8)13(24)21-14(25)23-22-12-11(16)6-10(7-20-12)15(17,18)19/h2-7H,1H3,(H,20,22)(H2,21,23,24,25)