1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-methoxyphenyl)carbamothioyl]pyrrole-2-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-methoxyphenyl)carbamothioyl]pyrrole-2-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[(4-methoxyphenyl)carbamothioyl]pyrrole-2-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyanilino)-sulfanylidenemethyl]-2-pyrrolecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(4-methoxyphenyl)carbamothioyl]pyrrole-2-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-[(4-methoxyphenyl)thiocarbamoyl]pyrrole-2-carboxamide Formula: C19H14ClF3N4O2S MolecularWeight: 454.85327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CN2C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H14ClF3N4O2S/c1-29-13-6-4-12(5-7-13)25-18(30)26-17(28)15-3-2-8-27(15)16-14(20)9-11(10-24-16)19(21,22)23/h2-10H,1H3,(H2,25,26,28,30)