2-(1,3-benzodioxol-5-ylamino)pyridine-4-carbothioamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)pyridine-4-carbothioamide Openeye Name: 2-(1,3-benzodioxol-5-ylamino)pyridine-4-carbothioamide CAS Name: 2-(1,3-benzodioxol-5-ylamino)-4-pyridinecarbothioamide IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)pyridine-4-carbothioamide Traditional Name: 2-(1,3-benzodioxol-5-ylamino)thioisonicotinamide Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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