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

Systemtic Name: dimethyl 5-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[(6-chloro-3-pyridazinyl)amino]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H18ClN5O4S2 MolecularWeight: 491.97102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H18ClN5O4S2/c1-10-15(18(27)29-2)17(32-16(10)19(28)30-3)24-20(31)23-12-6-4-11(5-7-12)22-14-9-8-13(21)25-26-14/h4-9H,1-3H3,(H,22,26)(H2,23,24,31)