2-[[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl]amino]thiophene-3-carboxamide Openeye Name: 2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]anilino]thiophene-3-carboxamide CAS Name: 2-[2-[[amino-[(6-phenyl-3-pyridazinyl)imino]methyl]amino]anilino]-3-thiophenecarboxamide IUPAC Name: 2-[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]anilino]thiophene-3-carboxamide Traditional Name: 2-[2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]anilino]thiophene-3-carboxamide Formula: C22H19N7OS MolecularWeight: 429.49756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C22H19N7OS/c23-20(30)15-12-13-31-21(15)25-17-8-4-5-9-18(17)26-22(24)27-19-11-10-16(28-29-19)14-6-2-1-3-7-14/h1-13,25H,(H2,23,30)(H3,24,26,27,29)