2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbothioamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-ylamino)-3-pyridinecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbothioamide Traditional Name: 2-(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=C(C=CC=N3)C(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C=CC=N3)C(=S)N

InChI

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