1-(5-nitrothiophen-3-yl)-3-prop-2-ynyl-urea

Systemtic Name: 1-(5-nitrothiophen-3-yl)-3-prop-2-ynyl-urea Openeye Name: 1-(5-nitro-3-thienyl)-3-prop-2-ynyl-urea CAS Name: 1-(5-nitro-3-thiophenyl)-3-prop-2-ynylurea IUPAC Name: 1-(5-nitrothiophen-3-yl)-3-prop-2-ynylurea Traditional Name: 1-(5-nitro-3-thienyl)-3-propargyl-urea Formula: C8H7N3O3S MolecularWeight: 225.22448

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)NC1=CSC(=C1)[N+](=O)[O-]

Isomeric SMILES

C#CCNC(=O)NC1=CSC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H7N3O3S/c1-2-3-9-8(12)10-6-4-7(11(13)14)15-5-6/h1,4-5H,3H2,(H2,9,10,12)