1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(2-methylallyl)thiourea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(2-methylallyl)thiourea Formula: C17H22N4S MolecularWeight: 314.44838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCC(=C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCC(=C)C

InChI

InChI=1S/C17H22N4S/c1-12(2)10-18-17(22)19-11-16-13(3)20-21(14(16)4)15-8-6-5-7-9-15/h5-9H,1,10-11H2,2-4H3,(H2,18,19,22)