[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanylpyridine-4-carboxylate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-azanylpyridine-4-carboxylate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-aminopyridine-4-carboxylate CAS Name: 3-amino-4-pyridinecarboxylic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 3-aminopyridine-4-carboxylate Traditional Name: 3-aminoisonicotinic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C23H18N6O2S MolecularWeight: 442.49302

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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=C3OC(=O)C4=C(C=NC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=S)NC3=CC=CC=C3OC(=O)C4=C(C=NC=C4)N

InChI

InChI=1S/C23H18N6O2S/c24-17-14-25-13-12-16(17)22(30)31-20-9-5-4-8-19(20)26-23(32)27-21-11-10-18(28-29-21)15-6-2-1-3-7-15/h1-14H,24H2,(H2,26,27,29,32)