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

Systemtic Name: 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]methyl]-7-methyl-coumarin Formula: C28H23N3O2S MolecularWeight: 465.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC3=CC(=O)OC4=C3C=CC(=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H23N3O2S/c1-17-4-9-20(10-5-17)26-27(21-11-6-18(2)7-12-21)30-31-28(29-26)34-16-22-15-25(32)33-24-14-19(3)8-13-23(22)24/h4-15H,16H2,1-3H3