1-(4-butan-2-ylphenyl)-3-[3-(4-chloranylpyrazol-1-yl)propyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloranylpyrazol-1-yl)propyl]thiourea Openeye Name: 1-[3-(4-chloropyrazol-1-yl)propyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloro-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[3-(4-chloropyrazol-1-yl)propyl]thiourea Traditional Name: 1-[3-(4-chloropyrazol-1-yl)propyl]-3-(4-sec-butylphenyl)thiourea Formula: C17H23ClN4S MolecularWeight: 350.90932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4S/c1-3-13(2)14-5-7-16(8-6-14)21-17(23)19-9-4-10-22-12-15(18)11-20-22/h5-8,11-13H,3-4,9-10H2,1-2H3,(H2,19,21,23)