methyl 2-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(6-chloro-3-pyridazinyl)amino]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H18ClN5O2S2 MolecularWeight: 496.00432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)NC4=NN=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN5O2S2/c1-31-22(30)17-13-18(14-5-3-2-4-6-14)33-21(17)27-23(32)26-16-9-7-15(8-10-16)25-20-12-11-19(24)28-29-20/h2-13H,1H3,(H,25,29)(H2,26,27,32)