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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C

InChI

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