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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-(4-butan-2-ylphenyl)thiourea Traditional Name: 1-(1-benzyl-4-chloro-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=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

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