1-[2-[2-(5-azanyl-1,3-benzoxazol-2-yl)ethyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea

Systemtic Name: 1-[2-[2-(5-azanyl-1,3-benzoxazol-2-yl)ethyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Openeye Name: 1-[2-[2-(5-amino-1,3-benzoxazol-2-yl)ethyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea CAS Name: 1-[2-[2-(5-amino-1,3-benzoxazol-2-yl)ethyl]phenyl]-3-(6-phenyl-3-pyridazinyl)thiourea IUPAC Name: 1-[2-[2-(5-amino-1,3-benzoxazol-2-yl)ethyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Traditional Name: 1-[2-[2-(5-amino-1,3-benzoxazol-2-yl)ethyl]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Formula: C26H22N6OS MolecularWeight: 466.55748

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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=C3CCC4=NC5=C(O4)C=CC(=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3CCC4=NC5=C(O4)C=CC(=C5)N

InChI

InChI=1S/C26H22N6OS/c27-19-11-13-23-22(16-19)28-25(33-23)15-10-18-8-4-5-9-20(18)29-26(34)30-24-14-12-21(31-32-24)17-6-2-1-3-7-17/h1-9,11-14,16H,10,15,27H2,(H2,29,30,32,34)