1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-phenethyl-thiourea

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-phenethyl-thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-phenethylthiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-phenethylthiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-phenethyl-thiourea Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4S/c1-17-21(18(2)26(25-17)16-20-11-7-4-8-12-20)15-24-22(27)23-14-13-19-9-5-3-6-10-19/h3-12H,13-16H2,1-2H3,(H2,23,24,27)