N-(4-bromanyl-3-methyl-phenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[5-ethyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H18BrN5OS MolecularWeight: 420.32672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C17H18BrN5OS/c1-3-15-20-21-17(23(15)22-8-4-5-9-22)25-11-16(24)19-13-6-7-14(18)12(2)10-13/h4-10H,3,11H2,1-2H3,(H,19,24)