5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-3H-1,3,4-thiadiazole-2-thione; phenyl ethanoate

Systemtic Name: 5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-3H-1,3,4-thiadiazole-2-thione; phenyl ethanoate Openeye Name: 5-(5-nitrothiazol-2-yl)sulfanyl-3H-1,3,4-thiadiazole-2-thione; phenyl acetate CAS Name: acetic acid phenyl ester; 5-[(5-nitro-2-thiazolyl)thio]-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-3H-1,3,4-thiadiazole-2-thione; phenyl acetate Traditional Name: acetic acid phenyl ester; 5-[(5-nitrothiazol-2-yl)thio]-3H-1,3,4-thiadiazole-2-thione Formula: C13H10N4O4S4 MolecularWeight: 414.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1.C1=C(SC(=N1)SC2=NNC(=S)S2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1.C1=C(SC(=N1)SC2=NNC(=S)S2)[N+](=O)[O-]

InChI

InChI=1S/C8H8O2.C5H2N4O2S4/c1-7(9)10-8-5-3-2-4-6-8;10-9(11)2-1-6-4(13-2)15-5-8-7-3(12)14-5/h2-6H,1H3;1H,(H,7,12)