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

Systemtic Name: 1-cyclopropyl-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-cyclopropyl-thiourea CAS Name: 1-cyclopropyl-3-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-cyclopropylthiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-cyclopropyl-thiourea Formula: C17H22N4S MolecularWeight: 314.44838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NC3CC3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=S)NC3CC3

InChI

InChI=1S/C17H22N4S/c1-12-16(10-18-17(22)19-15-8-9-15)13(2)21(20-12)11-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H2,18,19,22)