1-(4-ethanoylphenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea CAS Name: 1-(4-acetylphenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea IUPAC Name: 1-(4-acetylphenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea Traditional Name: 1-(4-acetylphenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=NN2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=NN2

InChI

InChI=1S/C13H14N4OS/c1-9(18)10-2-4-11(5-3-10)16-13(19)14-8-12-6-7-15-17-12/h2-7H,8H2,1H3,(H,15,17)(H2,14,16,19)