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

Systemtic Name: 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[5,6-bis(p-tolyl)-1,2,4-triazin-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C28H23N3O3S MolecularWeight: 481.56552

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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)OC)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)OC)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H23N3O3S/c1-17-4-8-19(9-5-17)26-27(20-10-6-18(2)7-11-20)30-31-28(29-26)35-16-21-14-25(32)34-24-15-22(33-3)12-13-23(21)24/h4-15H,16H2,1-3H3