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

Systemtic Name: methyl 2-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(6-chloro-3-pyridazinyl)amino]anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H18ClN5O2S2 MolecularWeight: 447.96152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C19H18ClN5O2S2/c1-3-13-10-14(18(26)27-2)17(29-13)23-19(28)22-12-6-4-11(5-7-12)21-16-9-8-15(20)24-25-16/h4-10H,3H2,1-2H3,(H,21,25)(H2,22,23,28)