1-(1,3-benzodioxol-5-yl)-3-(5-nitropyridin-2-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(5-nitropyridin-2-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(5-nitro-2-pyridyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(5-nitro-2-pyridinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(5-nitropyridin-2-yl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(5-nitro-2-pyridyl)thiourea Formula: C13H10N4O4S MolecularWeight: 318.3079

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S/c18-17(19)9-2-4-12(14-6-9)16-13(22)15-8-1-3-10-11(5-8)21-7-20-10/h1-6H,7H2,(H2,14,15,16,22)