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

Systemtic Name: 1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-benzyl-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea Formula: C16H22N4S MolecularWeight: 302.43768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=S)NCC2=CC=CC=C2)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=S)NCC2=CC=CC=C2)C

InChI

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