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

Systemtic Name: 1-(4-butylphenyl)-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-(4-butylphenyl)-3-[1-[(3,4-dichlorophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[1-(3,4-dichlorobenzyl)pyrazol-4-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=CN(N=C2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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