(E)-1-[4-nitro-5-(2-sulfanylphenyl)-1,3-thiazol-2-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-nitro-5-(2-sulfanylphenyl)-1,3-thiazol-2-yl]but-2-en-1-one Openeye Name: (E)-1-[4-nitro-5-(2-sulfanylphenyl)thiazol-2-yl]but-2-en-1-one CAS Name: (E)-1-[5-(2-mercaptophenyl)-4-nitro-2-thiazolyl]-2-buten-1-one IUPAC Name: (E)-1-[4-nitro-5-(2-sulfanylphenyl)-1,3-thiazol-2-yl]but-2-en-1-one Traditional Name: (E)-1-[5-(2-mercaptophenyl)-4-nitro-thiazol-2-yl]but-2-en-1-one Formula: C13H10N2O3S2 MolecularWeight: 306.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=NC(=C(S1)C2=CC=CC=C2S)[N+](=O)[O-]

Isomeric SMILES

C/C=C/C(=O)C1=NC(=C(S1)C2=CC=CC=C2S)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O3S2/c1-2-5-9(16)13-14-12(15(17)18)11(20-13)8-6-3-4-7-10(8)19/h2-7,19H,1H3/b5-2+