1-(1H-pyrrol-2-ylcarbonylamino)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(1H-pyrrol-2-ylcarbonylamino)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1H-pyrrole-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[oxo(1H-pyrrol-2-yl)methyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1H-pyrrole-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(1H-pyrrole-2-carbonylamino)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C13H11F3N4OS MolecularWeight: 328.31285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CC=CN2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NNC(=O)C2=CC=CN2)C(F)(F)F

InChI

InChI=1S/C13H11F3N4OS/c14-13(15,16)8-3-1-4-9(7-8)18-12(22)20-19-11(21)10-5-2-6-17-10/h1-7,17H,(H,19,21)(H2,18,20,22)