1-(4-butylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[1-(o-tolylmethyl)pyrazol-3-yl]thiourea CAS Name: 1-(4-butylphenyl)-3-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[1-(2-methylbenzyl)pyrazol-3-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=NN(C=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3C

InChI

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