1-[(4-chlorophenyl)methyl]-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)thiourea Traditional Name: 1-(4-chlorobenzyl)-3-[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiourea Formula: C17H23ClN4S MolecularWeight: 350.90932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CC=N1)NC(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C(CN1C=CC=N1)NC(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClN4S/c1-17(2,3)15(12-22-10-4-9-20-22)21-16(23)19-11-13-5-7-14(18)8-6-13/h4-10,15H,11-12H2,1-3H3,(H2,19,21,23)