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

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-p-phenetyl-thiourea Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4OS/c1-4-27-20-12-10-19(11-13-20)24-22(28)23-14-21-16(2)25-26(17(21)3)15-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3,(H2,23,24,28)