4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C28H21N3O2S MolecularWeight: 463.55024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H21N3O2S/c32-25-16-22(23-14-20-12-7-13-21(20)15-24(23)33-25)17-34-28-29-26(18-8-3-1-4-9-18)27(30-31-28)19-10-5-2-6-11-19/h1-6,8-11,14-16H,7,12-13,17H2