4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[4-(4-nitrophenyl)thiazol-2-yl]sulfanylbutan-2-one CAS Name: 4-[[4-(4-nitrophenyl)-2-thiazolyl]thio]-2-butanone IUPAC Name: 4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-(4-nitrophenyl)thiazol-2-yl]thio]butan-2-one Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCSC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O3S2/c1-9(16)6-7-19-13-14-12(8-20-13)10-2-4-11(5-3-10)15(17)18/h2-5,8H,6-7H2,1H3