methyl 2-[4-chloranyl-2-(4,5-dihydro-3H-pyridazin-2-ylcarbothioylamino)thiophen-3-yl]ethanoate

Systemtic Name: methyl 2-[4-chloranyl-2-(4,5-dihydro-3H-pyridazin-2-ylcarbothioylamino)thiophen-3-yl]ethanoate Openeye Name: methyl 2-[4-chloro-2-(4,5-dihydro-3H-pyridazine-2-carbothioylamino)-3-thienyl]acetate CAS Name: 2-[4-chloro-2-[[4,5-dihydro-3H-pyridazin-2-yl(sulfanylidene)methyl]amino]-3-thiophenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-chloro-2-(4,5-dihydro-3H-pyridazine-2-carbothioylamino)thiophen-3-yl]acetate Traditional Name: 2-[4-chloro-2-(4,5-dihydro-3H-pyridazine-2-carbothioylamino)-3-thienyl]acetic acid methyl ester Formula: C12H14ClN3O2S2 MolecularWeight: 331.84146

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC=C1Cl)NC(=S)N2CCCC=N2

Isomeric SMILES

COC(=O)CC1=C(SC=C1Cl)NC(=S)N2CCCC=N2

InChI

InChI=1S/C12H14ClN3O2S2/c1-18-10(17)6-8-9(13)7-20-11(8)15-12(19)16-5-3-2-4-14-16/h4,7H,2-3,5-6H2,1H3,(H,15,19)