2-[4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2,6-bis(chloranyl)phenyl]-2-(4-chlorophenyl)ethanethioic S-acid

Systemtic Name: 2-[4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2,6-bis(chloranyl)phenyl]-2-(4-chlorophenyl)ethanethioic S-acid Openeye Name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]ethanethioic S-acid CAS Name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]ethanethioic S-acid IUPAC Name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]ethanethioic S-acid Traditional Name: 2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-diketo-1,2,4-triazin-2-yl)phenyl]thioacetic acid Formula: C17H10Cl3N3O3S MolecularWeight: 442.7036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)C(=O)S)Cl

Isomeric SMILES

C1=CC(=CC=C1C(C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)C(=O)S)Cl

InChI

InChI=1S/C17H10Cl3N3O3S/c18-9-3-1-8(2-4-9)14(16(25)27)15-11(19)5-10(6-12(15)20)23-17(26)22-13(24)7-21-23/h1-7,14H,(H,25,27)(H,22,24,26)