1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-thiourea

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-propan-2-yl-thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-isopropyl-thiourea CAS Name: 1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-propan-2-ylthiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylthiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-isopropyl-thiourea Formula: C17H24N4S MolecularWeight: 316.46426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NC(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NC(C)C

InChI

InChI=1S/C17H24N4S/c1-12(2)19-17(22)18-10-16-13(3)20-21(14(16)4)11-15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3,(H2,18,19,22)