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

Systemtic Name: 1-[2-[(5-azanyl-4-cyano-1,2-oxazol-3-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Openeye Name: 1-[2-[(5-amino-4-cyano-isoxazol-3-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea CAS Name: 1-[2-[(5-amino-4-cyano-3-isoxazolyl)methyl]phenyl]-3-(6-phenyl-3-pyridazinyl)thiourea IUPAC Name: 1-[2-[(5-amino-4-cyano-1,2-oxazol-3-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Traditional Name: 1-[2-[(5-amino-4-cyano-isoxazol-3-yl)methyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Formula: C22H17N7OS MolecularWeight: 427.48168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CC4=NOC(=C4C#N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CC4=NOC(=C4C#N)N

InChI

InChI=1S/C22H17N7OS/c23-13-16-19(29-30-21(16)24)12-15-8-4-5-9-17(15)25-22(31)26-20-11-10-18(27-28-20)14-6-2-1-3-7-14/h1-11H,12,24H2,(H2,25,26,28,31)