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

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-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-(5-chloro-2-methoxy-phenyl)ethanone CAS Name: 1-(5-chloro-2-methoxyphenyl)-2-[(5,6-dithiophen-2-yl-1,2,4-triazin-3-yl)thio]ethanone IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-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-(5-chloro-2-methoxy-phenyl)ethanone Formula: C20H14ClN3O2S3 MolecularWeight: 459.99206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O2S3/c1-26-15-7-6-12(21)10-13(15)14(25)11-29-20-22-18(16-4-2-8-27-16)19(23-24-20)17-5-3-9-28-17/h2-10H,11H2,1H3