N-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H15BrN4OS/c1-12(16(23)20-14-9-7-13(18)8-10-14)24-17-19-11-22(21-17)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)