5-azanyl-2-(4-nitrophenyl)carbonyl-1,2,4-thiadiazol-3-one

Systemtic Name: 5-azanyl-2-(4-nitrophenyl)carbonyl-1,2,4-thiadiazol-3-one Openeye Name: 5-amino-2-(4-nitrobenzoyl)-1,2,4-thiadiazol-3-one CAS Name: 5-amino-2-[(4-nitrophenyl)-oxomethyl]-1,2,4-thiadiazol-3-one IUPAC Name: 5-amino-2-(4-nitrobenzoyl)-1,2,4-thiadiazol-3-one Traditional Name: 5-amino-2-(4-nitrobenzoyl)-1,2,4-thiadiazol-3-one Formula: C9H6N4O4S MolecularWeight: 266.23334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N2C(=O)N=C(S2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N2C(=O)N=C(S2)N)[N+](=O)[O-]

InChI

InChI=1S/C9H6N4O4S/c10-8-11-9(15)12(18-8)7(14)5-1-3-6(4-2-5)13(16)17/h1-4H,(H2,10,11,15)