N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzodioxole-5-carbothioamide

Systemtic Name: N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzodioxole-5-carbothioamide Openeye Name: N-[(E)-4-pyridylmethyleneamino]-1,3-benzodioxole-5-carbothioamide CAS Name: N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzodioxole-5-carbothioamide IUPAC Name: N-[(E)-pyridin-4-ylmethylideneamino]-1,3-benzodioxole-5-carbothioamide Traditional Name: N-[(E)-4-pyridylmethyleneamino]-1,3-benzodioxole-5-carbothioamide Formula: C14H11N3O2S MolecularWeight: 285.32104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=S)NN=CC3=CC=NC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=S)N/N=C/C3=CC=NC=C3

InChI

InChI=1S/C14H11N3O2S/c20-14(17-16-8-10-3-5-15-6-4-10)11-1-2-12-13(7-11)19-9-18-12/h1-8H,9H2,(H,17,20)/b16-8+