1-(4-butan-2-ylphenyl)-3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]thiourea Openeye Name: 1-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]thiourea Traditional Name: 1-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-3-(4-sec-butylphenyl)thiourea Formula: C19H27ClN4S MolecularWeight: 378.96248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NCCCN2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NCCCN2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C19H27ClN4S/c1-5-13(2)16-7-9-17(10-8-16)22-19(25)21-11-6-12-24-15(4)18(20)14(3)23-24/h7-10,13H,5-6,11-12H2,1-4H3,(H2,21,22,25)