N-(5-acetamido-2-methoxy-phenyl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H21BrN6O3S MolecularWeight: 553.43094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

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