2-[[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-(2-thienyl)ethanone CAS Name: 2-[[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]thio]-1-thiophen-2-ylethanone IUPAC Name: 2-[[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-thiophen-2-ylethanone Traditional Name: 2-[[5,6-bis(3-methoxyphenyl)-1,2,4-triazin-3-yl]thio]-1-(2-thienyl)ethanone Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=CS3)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(N=NC(=N2)SCC(=O)C3=CC=CS3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H19N3O3S2/c1-28-17-8-3-6-15(12-17)21-22(16-7-4-9-18(13-16)29-2)25-26-23(24-21)31-14-19(27)20-10-5-11-30-20/h3-13H,14H2,1-2H3