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

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(4-methoxyphenyl)thiourea Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4OS/c1-15-20(16(2)25(24-15)14-17-7-5-4-6-8-17)13-22-21(27)23-18-9-11-19(26-3)12-10-18/h4-12H,13-14H2,1-3H3,(H2,22,23,27)