1-(3-ethanoylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(3-acetylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[(1-methyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]thiourea Formula: C14H16N4OS MolecularWeight: 288.36804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CN(N=C2)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NCC2=CN(N=C2)C

InChI

InChI=1S/C14H16N4OS/c1-10(19)12-4-3-5-13(6-12)17-14(20)15-7-11-8-16-18(2)9-11/h3-6,8-9H,7H2,1-2H3,(H2,15,17,20)