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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-[1-(o-tolylmethyl)pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-[1-(2-methylbenzyl)pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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