1-(3-methylbutyl)-3-[(3-phenyl-1H-pyrazol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(3-phenyl-1H-pyrazol-5-yl)carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea Traditional Name: 1-isoamyl-3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]thiourea Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C16H21N5OS/c1-11(2)8-9-17-16(23)21-20-15(22)14-10-13(18-19-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)(H,20,22)(H2,17,21,23)