1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]thiourea Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)thiourea CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)thiourea Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)thiourea Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=S)N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=S)N

InChI

InChI=1S/C13H16N4S/c1-9-12(15-13(14)18)10(2)17(16-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H3,14,15,18)