1-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Formula: C19H18FN5O2S MolecularWeight: 399.441923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN5O2S/c1-12-18(13(2)24(23-12)11-14-6-8-15(20)9-7-14)22-19(28)21-16-4-3-5-17(10-16)25(26)27/h3-10H,11H2,1-2H3,(H2,21,22,28)