N-propan-2-ylethanethioamide; 1-[2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]propan-2-yl ethanoate

Systemtic Name: N-propan-2-ylethanethioamide; 1-[2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]propan-2-yl ethanoate Openeye Name: N-isopropylthioacetamide; [1-methyl-2-[2-(6-thioxo-1H-pyridazin-3-yl)phenoxy]ethyl] acetate CAS Name: acetic acid 1-[2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]propan-2-yl ester; N-propan-2-ylethanethioamide IUPAC Name: N-propan-2-ylethanethioamide; 1-[2-(6-sulfanylidene-1H-pyridazin-3-yl)phenoxy]propan-2-yl acetate Traditional Name: acetic acid [1-methyl-2-[2-(6-thioxo-1H-pyridazin-3-yl)phenoxy]ethyl] ester; N-isopropylthioacetamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)C.CC(COC1=CC=CC=C1C2=NNC(=S)C=C2)OC(=O)C

Isomeric SMILES

CC(C)NC(=S)C.CC(COC1=CC=CC=C1C2=NNC(=S)C=C2)OC(=O)C

InChI

InChI=1S/C15H16N2O3S.C5H11NS/c1-10(20-11(2)18)9-19-14-6-4-3-5-12(14)13-7-8-15(21)17-16-13;1-4(2)6-5(3)7/h3-8,10H,9H2,1-2H3,(H,17,21);4H,1-3H3,(H,6,7)