6-(1,3-benzodioxol-5-ylamino)pyridine-3-carbothioamide

Systemtic Name: 6-(1,3-benzodioxol-5-ylamino)pyridine-3-carbothioamide Openeye Name: 6-(1,3-benzodioxol-5-ylamino)pyridine-3-carbothioamide CAS Name: 6-(1,3-benzodioxol-5-ylamino)-3-pyridinecarbothioamide IUPAC Name: 6-(1,3-benzodioxol-5-ylamino)pyridine-3-carbothioamide Traditional Name: 6-(1,3-benzodioxol-5-ylamino)thionicotinamide Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC=C(C=C3)C(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC=C(C=C3)C(=S)N

InChI

InChI=1S/C13H11N3O2S/c14-13(19)8-1-4-12(15-6-8)16-9-2-3-10-11(5-9)18-7-17-10/h1-6H,7H2,(H2,14,19)(H,15,16)