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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-[1-(2-chlorobenzyl)pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea Formula: C21H23ClN4S MolecularWeight: 398.95212

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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=CC=C3Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN4S/c1-3-15(2)16-8-10-18(11-9-16)24-21(27)25-19-12-23-26(14-19)13-17-6-4-5-7-20(17)22/h4-12,14-15H,3,13H2,1-2H3,(H2,24,25,27)