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

Systemtic Name: 3-[[1-(4-methoxyphenyl)-4-(2-oxidanylidenechromen-3-yl)imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[1-(4-methoxyphenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[1-(4-methoxyphenyl)-4-(2-oxo-1-benzopyran-3-yl)-2-imidazolyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[1-(4-methoxyphenyl)-4-(2-oxochromen-3-yl)imidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(2-ketochromen-3-yl)-1-(4-methoxyphenyl)imidazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C27H19N5O4S MolecularWeight: 509.53586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(N=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(N=C2SCN3C(=O)C4=CC=CC=C4N=N3)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C27H19N5O4S/c1-35-19-12-10-18(11-13-19)31-15-23(21-14-17-6-2-5-9-24(17)36-26(21)34)28-27(31)37-16-32-25(33)20-7-3-4-8-22(20)29-30-32/h2-15H,16H2,1H3