N-(3-bromanyl-4-methoxy-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-bromanyl-4-methoxy-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-bromo-4-methoxy-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-bromo-4-methoxyphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-bromo-4-methoxyphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-bromo-4-methoxy-phenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H15BrN4O2S/c1-24-15-8-7-12(9-14(15)18)20-16(23)10-25-17-19-11-22(21-17)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,23)