1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[1-(3-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C20H20FN5O3S MolecularWeight: 429.467903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC(=CC=C2)F)C)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC(=CC=C2)F)C)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20FN5O3S/c1-12-19(13(2)25(24-12)11-14-5-4-6-15(21)9-14)23-20(30)22-17-8-7-16(26(27)28)10-18(17)29-3/h4-10H,11H2,1-3H3,(H2,22,23,30)