1-(4-butan-2-ylphenyl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]thiourea Traditional Name: 1-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea Formula: C22H25ClN4S MolecularWeight: 412.9787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4S/c1-4-15(2)18-7-11-20(12-8-18)24-22(28)25-21-13-16(3)27(26-21)14-17-5-9-19(23)10-6-17/h5-13,15H,4,14H2,1-3H3,(H2,24,25,26,28)