ethanoic acid; N-[(E)-pyridin-4-ylmethylideneamino]morpholine-4-carbothioamide

Systemtic Name: ethanoic acid; N-[(E)-pyridin-4-ylmethylideneamino]morpholine-4-carbothioamide Openeye Name: acetic acid; N-[(E)-4-pyridylmethyleneamino]morpholine-4-carbothioamide CAS Name: acetic acid; N-[(E)-pyridin-4-ylmethylideneamino]-4-morpholinecarbothioamide IUPAC Name: acetic acid; N-[(E)-pyridin-4-ylmethylideneamino]morpholine-4-carbothioamide Traditional Name: acetic acid; N-[(E)-4-pyridylmethyleneamino]morpholine-4-carbothioamide Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1COCCN1C(=S)NN=CC2=CC=NC=C2

Isomeric SMILES

CC(=O)O.C1COCCN1C(=S)N/N=C/C2=CC=NC=C2

InChI

InChI=1S/C11H14N4OS.C2H4O2/c17-11(15-5-7-16-8-6-15)14-13-9-10-1-3-12-4-2-10;1-2(3)4/h1-4,9H,5-8H2,(H,14,17);1H3,(H,3,4)/b13-9+;