1-(4-ethanoylphenyl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-(4-acetylphenyl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=S)NC2=CC=C(C=C2)C(=O)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=S)NC2=CC=C(C=C2)C(=O)C)C

InChI

InChI=1S/C17H22N4OS/c1-5-21-12(3)16(11(2)20-21)10-18-17(23)19-15-8-6-14(7-9-15)13(4)22/h6-9H,5,10H2,1-4H3,(H2,18,19,23)