4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O3S/c1-31-20-12-13-21-19(14-23(30)32-22(21)15-20)16-33-26-27-24(17-8-4-2-5-9-17)25(28-29-26)18-10-6-3-7-11-18/h2-15H,16H2,1H3