(2-azanyl-3-ethynyl-phenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene

Systemtic Name: (2-azanyl-3-ethynyl-phenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene Openeye Name: (2-amino-3-ethynyl-phenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene CAS Name: (2-amino-3-ethynylphenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene IUPAC Name: (2-amino-3-ethynylphenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene Traditional Name: (2-amino-3-ethynyl-phenyl)carbamic acid; 3-thia-5-azabicyclo[2.1.0]penta-1,4-diene Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC=C1)NC(=O)O)N.C1=C2C(=N2)S1

Isomeric SMILES

C#CC1=C(C(=CC=C1)NC(=O)O)N.C1=C2C(=N2)S1

InChI

InChI=1S/C9H8N2O2.C3HNS/c1-2-6-4-3-5-7(8(6)10)11-9(12)13;1-2-3(4-2)5-1/h1,3-5,11H,10H2,(H,12,13);1H