N-[(E)-(5-bromanylthiophen-2-yl)methylideneamino]-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-[(E)-(5-bromanylthiophen-2-yl)methylideneamino]-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(5-bromo-2-thienyl)methyleneamino]acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(E)-(5-bromo-2-thiophenyl)methylideneamino]acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-(5-bromo-2-thienyl)methyleneamino]acetamide Formula: C20H14Br2N6OS2 MolecularWeight: 578.30276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=C2SCC(=O)NN=CC3=CC=C(S3)Br)C4=CC=NC=C4)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=C2SCC(=O)N/N=C/C3=CC=C(S3)Br)C4=CC=NC=C4)Br

InChI

InChI=1S/C20H14Br2N6OS2/c21-14-1-3-15(4-2-14)28-19(13-7-9-23-10-8-13)26-27-20(28)30-12-18(29)25-24-11-16-5-6-17(22)31-16/h1-11H,12H2,(H,25,29)/b24-11+