1-[[1-(4-chlorophenyl)-4-oxidanyl-pyrazol-3-yl]carbonylamino]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[[1-(4-chlorophenyl)-4-oxidanyl-pyrazol-3-yl]carbonylamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[[1-(4-chlorophenyl)-4-hydroxy-pyrazole-3-carbonyl]amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[[1-(4-chlorophenyl)-4-hydroxy-3-pyrazolyl]-oxomethyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[[1-(4-chlorophenyl)-4-hydroxy-pyrazole-3-carbonyl]amino]-3-(4-fluorophenyl)thiourea Formula: C17H13ClFN5O2S MolecularWeight: 405.833823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl)F

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NNC(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl)F

InChI

InChI=1S/C17H13ClFN5O2S/c18-10-1-7-13(8-2-10)24-9-14(25)15(23-24)16(26)21-22-17(27)20-12-5-3-11(19)4-6-12/h1-9,25H,(H,21,26)(H2,20,22,27)