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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-3-oxidanylidene-butanamide Openeye Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-3-oxo-butanamide CAS Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N,N-dimethyl-3-oxobutanamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-3-oxobutanamide Traditional Name: 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-keto-N,N-dimethyl-butyramide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)N(C)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)C(C(=O)N(C)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrN4O2S/c1-13(26)17(19(27)24(2)3)28-20-23-22-18(14-8-7-9-15(21)12-14)25(20)16-10-5-4-6-11-16/h4-12,17H,1-3H3