1-[2-(5-cyano-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl)ethanoylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2-(5-cyano-6-oxidanylidene-3,4-diphenyl-pyridazin-1-yl)ethanoylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-(5-cyano-6-oxo-3,4-diphenyl-pyridazin-1-yl)acetyl]amino]thiourea CAS Name: 1-[[2-(5-cyano-6-oxo-3,4-diphenyl-1-pyridazinyl)-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-(5-cyano-6-keto-3,4-diphenyl-pyridazin-1-yl)acetyl]amino]thiourea Formula: C27H22N6O2S MolecularWeight: 494.56758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)CN2C(=O)C(=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)CN2C(=O)C(=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H22N6O2S/c28-16-22-24(20-12-6-2-7-13-20)25(21-14-8-3-9-15-21)32-33(26(22)35)18-23(34)30-31-27(36)29-17-19-10-4-1-5-11-19/h1-15H,17-18H2,(H,30,34)(H2,29,31,36)