1-butyl-3-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]thiourea

Systemtic Name: 1-butyl-3-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-butyl-thiourea CAS Name: 1-butyl-3-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-butylthiourea Traditional Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-butyl-thiourea Formula: C15H19ClN4S MolecularWeight: 322.85616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=NN(C=C1Cl)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=S)NC1=NN(C=C1Cl)CC2=CC=CC=C2

InChI

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