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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-[1-(p-tolylmethyl)pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-methylphenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-[1-(4-methylbenzyl)pyrazol-4-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=CN(N=C2)CC3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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