1-[2-[(5-azanyl-1-tert-butyl-pyrazol-3-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea

Systemtic Name: 1-[2-[(5-azanyl-1-tert-butyl-pyrazol-3-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Openeye Name: 1-[2-[(5-amino-1-tert-butyl-pyrazol-3-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea CAS Name: 1-[2-[(5-amino-1-tert-butyl-3-pyrazolyl)methyl]phenyl]-3-(6-phenyl-3-pyridazinyl)thiourea IUPAC Name: 1-[2-[(5-amino-1-tert-butylpyrazol-3-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Traditional Name: 1-[2-[(5-amino-1-tert-butyl-pyrazol-3-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Formula: C25H27N7S MolecularWeight: 457.59378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)CC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)CC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C25H27N7S/c1-25(2,3)32-22(26)16-19(31-32)15-18-11-7-8-12-20(18)27-24(33)28-23-14-13-21(29-30-23)17-9-5-4-6-10-17/h4-14,16H,15,26H2,1-3H3,(H2,27,28,30,33)