3-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]anilino)propionamide Formula: C19H18BrN5O2S MolecularWeight: 460.34752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C19H18BrN5O2S/c20-15-9-5-4-8-14(15)18-22-19(24-23-18)28-12-17(27)25(11-10-16(21)26)13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,21,26)(H,22,23,24)