[2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 2-azanyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 2-azanyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 2-amino-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-amino-4,6-dimethyl-3-pyridinecarboxylic acid [2-[[[(6-phenyl-3-pyridazinyl)amino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [2-[(6-phenylpyridazin-3-yl)carbamothioylamino]phenyl] 2-amino-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-amino-4,6-dimethyl-nicotinic acid [2-[(6-phenylpyridazin-3-yl)thiocarbamoylamino]phenyl] ester Formula: C25H22N6O2S MolecularWeight: 470.54618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OC2=CC=CC=C2NC(=S)NC3=NN=C(C=C3)C4=CC=CC=C4)N)C

InChI

InChI=1S/C25H22N6O2S/c1-15-14-16(2)27-23(26)22(15)24(32)33-20-11-7-6-10-19(20)28-25(34)29-21-13-12-18(30-31-21)17-8-4-3-5-9-17/h3-14H,1-2H3,(H2,26,27)(H2,28,29,31,34)