5-(4-nitrophenyl)-3-prop-2-ynyl-1,3,4-thiadiazol-2-one

Systemtic Name: 5-(4-nitrophenyl)-3-prop-2-ynyl-1,3,4-thiadiazol-2-one Openeye Name: 5-(4-nitrophenyl)-3-prop-2-ynyl-1,3,4-thiadiazol-2-one CAS Name: 5-(4-nitrophenyl)-3-prop-2-ynyl-1,3,4-thiadiazol-2-one IUPAC Name: 5-(4-nitrophenyl)-3-prop-2-ynyl-1,3,4-thiadiazol-2-one Traditional Name: 5-(4-nitrophenyl)-3-propargyl-1,3,4-thiadiazol-2-one Formula: C11H7N3O3S MolecularWeight: 261.25658

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)SC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCN1C(=O)SC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H7N3O3S/c1-2-7-13-11(15)18-10(12-13)8-3-5-9(6-4-8)14(16)17/h1,3-6H,7H2