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

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

Isomeric SMILES

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

InChI

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