1-[2-[(1,1-dicyano-3-phenoxy-prop-1-en-2-yl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea

Systemtic Name: 1-[2-[(1,1-dicyano-3-phenoxy-prop-1-en-2-yl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Openeye Name: 1-[2-[[2,2-dicyano-1-(phenoxymethyl)vinyl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea CAS Name: 1-[2-[(1,1-dicyano-3-phenoxyprop-1-en-2-yl)amino]phenyl]-3-(6-phenyl-3-pyridazinyl)thiourea IUPAC Name: 1-[2-[(1,1-dicyano-3-phenoxyprop-1-en-2-yl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Traditional Name: 1-[2-[[2,2-dicyano-1-(phenoxymethyl)vinyl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)thiourea Formula: C28H21N7OS MolecularWeight: 503.57764

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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=C3NC(=C(C#N)C#N)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3NC(=C(C#N)C#N)COC4=CC=CC=C4

InChI

InChI=1S/C28H21N7OS/c29-17-21(18-30)26(19-36-22-11-5-2-6-12-22)31-24-13-7-8-14-25(24)32-28(37)33-27-16-15-23(34-35-27)20-9-3-1-4-10-20/h1-16,31H,19H2,(H2,32,33,35,37)