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

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

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4S/c1-2-3-4-16-7-11-19(12-8-16)24-21(27)25-20-13-23-26(15-20)14-17-5-9-18(22)10-6-17/h5-13,15H,2-4,14H2,1H3,(H2,24,25,27)