1-butyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea

Systemtic Name: 1-butyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-butyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-butyl-3-[1-[(4-chlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-butyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-butyl-3-[1-(4-chlorobenzyl)pyrazol-3-yl]thiourea Formula: C15H19ClN4S MolecularWeight: 322.85616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NN(C=C1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCNC(=S)NC1=NN(C=C1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN4S/c1-2-3-9-17-15(21)18-14-8-10-20(19-14)11-12-4-6-13(16)7-5-12/h4-8,10H,2-3,9,11H2,1H3,(H2,17,18,19,21)