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

Systemtic Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-7-methyl-coumarin Formula: C26H19N3O2S MolecularWeight: 437.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H19N3O2S/c1-17-12-13-21-20(15-23(30)31-22(21)14-17)16-32-26-27-24(18-8-4-2-5-9-18)25(28-29-26)19-10-6-3-7-11-19/h2-15H,16H2,1H3