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

Systemtic Name: 1-(4-butylphenyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(4-butylphenyl)-3-[1-[(2-chlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[1-(2-chlorobenzyl)pyrazol-3-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=NN(C=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3Cl

InChI

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