1-[2-[[2-(5-azanyl-4-cyano-pyrazol-1-yl)-6-methyl-phenyl]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea

Systemtic Name: 1-[2-[[2-(5-azanyl-4-cyano-pyrazol-1-yl)-6-methyl-phenyl]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Openeye Name: 1-[2-[[2-(5-amino-4-cyano-pyrazol-1-yl)-6-methyl-phenyl]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea CAS Name: 1-[2-[[2-(5-amino-4-cyano-1-pyrazolyl)-6-methylphenyl]methyl]phenyl]-3-(6-phenyl-3-pyridazinyl)thiourea IUPAC Name: 1-[2-[[2-(5-amino-4-cyanopyrazol-1-yl)-6-methylphenyl]methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Traditional Name: 1-[2-[2-(5-amino-4-cyano-pyrazol-1-yl)-6-methyl-benzyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Formula: C29H24N8S MolecularWeight: 516.61946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=C(C=N2)C#N)N)CC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=C(C=N2)C#N)N)CC3=CC=CC=C3NC(=S)NC4=NN=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N8S/c1-19-8-7-13-26(37-28(31)22(17-30)18-32-37)23(19)16-21-11-5-6-12-24(21)33-29(38)34-27-15-14-25(35-36-27)20-9-3-2-4-10-20/h2-15,18H,16,31H2,1H3,(H2,33,34,36,38)