1-(3-ethanoylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-(3-acetylphenyl)-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[1-(1-naphthalenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H20N4OS/c1-16(28)18-8-5-10-20(12-18)25-23(29)26-21-13-24-27(15-21)14-19-9-4-7-17-6-2-3-11-22(17)19/h2-13,15H,14H2,1H3,(H2,25,26,29)