1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[2-(2-furylmethylsulfanyl)ethyl]urea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-[2-(2-furanylmethylthio)ethyl]urea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[2-(2-furfurylthio)ethyl]urea Formula: C20H24N4O2S MolecularWeight: 384.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C20H24N4O2S/c1-15-19(16(2)24(23-15)17-7-4-3-5-8-17)13-22-20(25)21-10-12-27-14-18-9-6-11-26-18/h3-9,11H,10,12-14H2,1-2H3,(H2,21,22,25)