3-[[1-(4-bromophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[1-(4-bromophenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[1-(4-bromophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[1-(4-bromophenyl)-4-(2-oxo-1-benzopyran-3-yl)-2-imidazolyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[1-(4-bromophenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[1-(4-bromophenyl)-4-(2-ketochromen-3-yl)imidazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C26H16BrN5O3S MolecularWeight: 558.40594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCN4C(=O)C5=CC=CC=C5N=N4)C6=CC=C(C=C6)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCN4C(=O)C5=CC=CC=C5N=N4)C6=CC=C(C=C6)Br

InChI

InChI=1S/C26H16BrN5O3S/c27-17-9-11-18(12-10-17)31-14-22(20-13-16-5-1-4-8-23(16)35-25(20)34)28-26(31)36-15-32-24(33)19-6-2-3-7-21(19)29-30-32/h1-14H,15H2