4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C29H25N3O2S MolecularWeight: 479.5927

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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(=C4C)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(=C4C)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H25N3O2S/c1-17-5-10-21(11-6-17)26-27(22-12-7-18(2)8-13-22)31-32-29(30-26)35-16-23-15-25(33)34-28-20(4)19(3)9-14-24(23)28/h5-15H,16H2,1-4H3