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

Systemtic Name: N-(4-bromophenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-bromophenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2CCOC)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2CCOC)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrN4O2S/c1-14(19(26)22-17-10-8-16(21)9-11-17)28-20-24-23-18(25(20)12-13-27-2)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)