1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-ethanoylphenyl)thiourea

Systemtic Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-ethanoylphenyl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)C)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(=O)C)C

InChI

InChI=1S/C21H22N4OS/c1-14-11-15(2)25(24-14)13-17-7-9-19(10-8-17)22-21(27)23-20-6-4-5-18(12-20)16(3)26/h4-12H,13H2,1-3H3,(H2,22,23,27)