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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-propan-2-yl-thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-isopropyl-thiourea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-propan-2-ylthiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-ylthiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-isopropyl-thiourea Formula: C16H22N4S MolecularWeight: 302.43768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4S/c1-11(2)18-16(21)17-10-15-12(3)19-20(13(15)4)14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3,(H2,17,18,21)