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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-[1-(4-chlorobenzyl)pyrazol-3-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=NN(C=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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