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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[4-chloranyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-chloro-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-[4-chloro-1-(2-chlorobenzyl)pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea Formula: C21H22Cl2N4S MolecularWeight: 433.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22Cl2N4S/c1-3-14(2)15-8-10-17(11-9-15)24-21(28)25-20-19(23)13-27(26-20)12-16-6-4-5-7-18(16)22/h4-11,13-14H,3,12H2,1-2H3,(H2,24,25,26,28)