1-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-4-methoxy-phenyl]ethanone Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2S/c1-17(29)20-13-14-22(30-2)21(15-20)16-31-25-26-23(18-9-5-3-6-10-18)24(27-28-25)19-11-7-4-8-12-19/h3-15H,16H2,1-2H3