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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C18H17BrN4OS/c1-2-15(17(24)20-12-8-4-3-5-9-12)25-18-21-16(22-23-18)13-10-6-7-11-14(13)19/h3-11,15H,2H2,1H3,(H,20,24)(H,21,22,23)