1-cyclohexyl-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea

Systemtic Name: 1-cyclohexyl-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzylpyrazol-3-yl)-3-cyclohexyl-thiourea CAS Name: 1-cyclohexyl-3-[1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzylpyrazol-3-yl)-3-cyclohexylthiourea Traditional Name: 1-(1-benzylpyrazol-3-yl)-3-cyclohexyl-thiourea Formula: C17H22N4S MolecularWeight: 314.44838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4S/c22-17(18-15-9-5-2-6-10-15)19-16-11-12-21(20-16)13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,15H,2,5-6,9-10,13H2,(H2,18,19,20,22)