S-[5-(3-nitrophenyl)carbonylsulfanyl-1,3,4-thiadiazol-2-yl] 3-nitrobenzenecarbothioate

Systemtic Name: S-[5-(3-nitrophenyl)carbonylsulfanyl-1,3,4-thiadiazol-2-yl] 3-nitrobenzenecarbothioate Openeye Name: S-[5-(3-nitrobenzoyl)sulfanyl-1,3,4-thiadiazol-2-yl] 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-[5-[[(3-nitrophenyl)-oxomethyl]thio]-1,3,4-thiadiazol-2-yl] ester IUPAC Name: S-[5-(3-nitrobenzoyl)sulfanyl-1,3,4-thiadiazol-2-yl] 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-[5-[(3-nitrobenzoyl)thio]-1,3,4-thiadiazol-2-yl] ester Formula: C16H8N4O6S3 MolecularWeight: 448.45292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)SC2=NN=C(S2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)SC2=NN=C(S2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H8N4O6S3/c21-13(9-3-1-5-11(7-9)19(23)24)27-15-17-18-16(29-15)28-14(22)10-4-2-6-12(8-10)20(25)26/h1-8H