[2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 5-azanyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 5-azanyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 5-aminobenzothiophene-2-carboxylate CAS Name: 5-amino-1-benzothiophene-2-carboxylic acid [2-[[amino-[(6-phenyl-3-pyridazinyl)imino]methyl]amino]phenyl] ester IUPAC Name: [2-[[N'-(6-phenylpyridazin-3-yl)carbamimidoyl]amino]phenyl] 5-amino-1-benzothiophene-2-carboxylate Traditional Name: 5-aminobenzothiophene-2-carboxylic acid [2-[[N'-(6-phenylpyridazin-3-yl)amidino]amino]phenyl] ester Formula: C26H20N6O2S MolecularWeight: 480.541

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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=C3OC(=O)C4=CC5=C(S4)C=CC(=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)N=C(N)NC3=CC=CC=C3OC(=O)C4=CC5=C(S4)C=CC(=C5)N

InChI

InChI=1S/C26H20N6O2S/c27-18-10-12-22-17(14-18)15-23(35-22)25(33)34-21-9-5-4-8-20(21)29-26(28)30-24-13-11-19(31-32-24)16-6-2-1-3-7-16/h1-15H,27H2,(H3,28,29,30,32)