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

Systemtic Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,5-dimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[(E)-(2,5-dimethoxybenzylidene)amino]acetamide Formula: C24H21BrN6O3S MolecularWeight: 553.43094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C24H21BrN6O3S/c1-33-20-7-8-21(34-2)17(13-20)14-27-28-22(32)15-35-24-30-29-23(16-9-11-26-12-10-16)31(24)19-5-3-18(25)4-6-19/h3-14H,15H2,1-2H3,(H,28,32)/b27-14+