N-(4-bromophenyl)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-bromophenyl)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrN4OS/c1-13-21-22-18(23(13)16-5-3-2-4-6-16)25-12-11-17(24)20-15-9-7-14(19)8-10-15/h2-10H,11-12H2,1H3,(H,20,24)