1-(2,5-dimethoxyphenyl)-2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone Openeye Name: 2-[[5,6-bis(2-thienyl)-1,2,4-triazin-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone CAS Name: 1-(2,5-dimethoxyphenyl)-2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)thio]ethanone IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone Traditional Name: 2-[[5,6-bis(2-thienyl)-1,2,4-triazin-3-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC(=C(N=N2)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC(=C(N=N2)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C21H17N3O3S3/c1-26-13-7-8-16(27-2)14(11-13)15(25)12-30-21-22-19(17-5-3-9-28-17)20(23-24-21)18-6-4-10-29-18/h3-11H,12H2,1-2H3