1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C18H15ClFN5O3S MolecularWeight: 435.859803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=NN(C=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H15ClFN5O3S/c1-28-16-9-11(25(26)27)5-6-15(16)21-18(29)22-17-7-8-24(23-17)10-12-13(19)3-2-4-14(12)20/h2-9H,10H2,1H3,(H2,21,22,23,29)