(E)-3-[2-[(1,3-benzothiazol-2-yldisulfanyl)methyl]phenyl]-1-pyrrol-1-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[2-[(1,3-benzothiazol-2-yldisulfanyl)methyl]phenyl]-1-pyrrol-1-yl-prop-2-en-1-one Openeye Name: (E)-3-[2-[(1,3-benzothiazol-2-yldisulfanyl)methyl]phenyl]-1-pyrrol-1-yl-prop-2-en-1-one CAS Name: (E)-3-[2-[(1,3-benzothiazol-2-yldisulfanyl)methyl]phenyl]-1-(1-pyrrolyl)-2-propen-1-one IUPAC Name: (E)-3-[2-[(1,3-benzothiazol-2-yldisulfanyl)methyl]phenyl]-1-pyrrol-1-ylprop-2-en-1-one Traditional Name: (E)-3-[2-[(1,3-benzothiazol-2-yldisulfanyl)methyl]phenyl]-1-pyrrol-1-yl-prop-2-en-1-one Formula: C21H16N2OS3 MolecularWeight: 408.55954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSSC2=NC3=CC=CC=C3S2)C=CC(=O)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C(=C1)CSSC2=NC3=CC=CC=C3S2)/C=C/C(=O)N4C=CC=C4

InChI

InChI=1S/C21H16N2OS3/c24-20(23-13-5-6-14-23)12-11-16-7-1-2-8-17(16)15-25-27-21-22-18-9-3-4-10-19(18)26-21/h1-14H,15H2/b12-11+