1-(4-butylphenyl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]thiourea CAS Name: 1-(4-butylphenyl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]thiourea Formula: C22H25ClN4S MolecularWeight: 412.9787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4S/c1-3-4-5-17-8-12-20(13-9-17)24-22(28)25-21-14-16(2)27(26-21)15-18-6-10-19(23)11-7-18/h6-14H,3-5,15H2,1-2H3,(H2,24,25,26,28)