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

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-3-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-5-methylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-[1-(4-chlorobenzyl)pyrazol-4-yl]-3-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]thiourea Formula: C18H21ClN6S MolecularWeight: 388.91754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CNC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)CNC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H21ClN6S/c1-3-25-13(2)15(9-22-25)8-20-18(26)23-17-10-21-24(12-17)11-14-4-6-16(19)7-5-14/h4-7,9-10,12H,3,8,11H2,1-2H3,(H2,20,23,26)