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

Systemtic Name: N-(3-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(3-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(3-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-bromophenyl)-3-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H19BrN4OS/c1-2-17-22-23-19(24(17)16-9-4-3-5-10-16)26-12-11-18(25)21-15-8-6-7-14(20)13-15/h3-10,13H,2,11-12H2,1H3,(H,21,25)