1,3,2-benzodioxaborol-2-yl N'-[(Z)-1-pyridin-2-ylethylideneamino]carbamimidothioate

Systemtic Name: 1,3,2-benzodioxaborol-2-yl N'-[(Z)-1-pyridin-2-ylethylideneamino]carbamimidothioate Openeye Name: 2-(1,3,2-benzodioxaborol-2-yl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]isothiourea CAS Name: N'-[(Z)-1-(2-pyridinyl)ethylideneamino]carbamimidothioic acid 1,3,2-benzodioxaborol-2-yl ester IUPAC Name: 1,3,2-benzodioxaborol-2-yl N'-[(Z)-1-pyridin-2-ylethylideneamino]carbamimidothioate Traditional Name: 2-(1,3,2-benzodioxaborol-2-yl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]isothiourea Formula: C14H13BN4O2S MolecularWeight: 312.15462

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC2=CC=CC=C2O1)SC(=NN=C(C)C3=CC=CC=N3)N

Isomeric SMILES

B1(OC2=CC=CC=C2O1)S/C(=N\N=C(\C)/C3=CC=CC=N3)/N

InChI

InChI=1S/C14H13BN4O2S/c1-10(11-6-4-5-9-17-11)18-19-14(16)22-15-20-12-7-2-3-8-13(12)21-15/h2-9H,1H3,(H2,16,19)/b18-10-