1-[(E)-[3-(6-oxidanylidene-3,4-diphenyl-1H-pyridazin-5-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[3-(6-oxidanylidene-3,4-diphenyl-1H-pyridazin-5-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: [(E)-[3-(6-oxo-3,4-diphenyl-1H-pyridazin-5-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-(6-oxo-3,4-diphenyl-1H-pyridazin-5-yl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-[3-(6-oxo-3,4-diphenyl-1H-pyridazin-5-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: [(E)-[3-(6-keto-3,4-diphenyl-1H-pyridazin-5-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C27H21N7OS MolecularWeight: 491.56694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)C4=NN(C=C4C=NNC(=S)N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)C4=NN(C=C4/C=N/NC(=S)N)C5=CC=CC=C5

InChI

InChI=1S/C27H21N7OS/c28-27(36)32-29-16-20-17-34(21-14-8-3-9-15-21)33-25(20)23-22(18-10-4-1-5-11-18)24(30-31-26(23)35)19-12-6-2-7-13-19/h1-17H,(H,31,35)(H3,28,32,36)/b29-16+