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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(4-chlorobenzyl)-3-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]thiourea Formula: C16H21ClN4S MolecularWeight: 336.88274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4S/c1-4-21-12(3)15(11(2)20-21)10-19-16(22)18-9-13-5-7-14(17)8-6-13/h5-8H,4,9-10H2,1-3H3,(H2,18,19,22)