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

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-3-(3-nitrophenyl)thiourea Formula: C17H13ClFN5O2S MolecularWeight: 405.833823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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