1-(4-butylphenyl)-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[1-(p-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(4-butylphenyl)-3-[1-[(4-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[1-(4-methylbenzyl)pyrazol-4-yl]thiourea Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N4S/c1-3-4-5-18-10-12-20(13-11-18)24-22(27)25-21-14-23-26(16-21)15-19-8-6-17(2)7-9-19/h6-14,16H,3-5,15H2,1-2H3,(H2,24,25,27)