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

Systemtic Name: 1-(4-butylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(4-butylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[1-(2,4-dichlorobenzyl)pyrazol-3-yl]thiourea Formula: C21H22Cl2N4S MolecularWeight: 433.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N4S/c1-2-3-4-15-5-9-18(10-6-15)24-21(28)25-20-11-12-27(26-20)14-16-7-8-17(22)13-19(16)23/h5-13H,2-4,14H2,1H3,(H2,24,25,26,28)