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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(2,3-dimethylphenyl)thiourea Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H26N4S/c1-15-9-8-12-21(16(15)2)24-22(27)23-13-20-17(3)25-26(18(20)4)14-19-10-6-5-7-11-19/h5-12H,13-14H2,1-4H3,(H2,23,24,27)